4-bromopyridin-2-amine;tert-butyl (3S)-3-[methyl-(4-phenyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate;(3S)-1-cyano-N-methyl-N-(4-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-4-phenylpyridin-2-amine;4-phenylpyridin-2-amine;N-(4-phenyl-2-pyridinyl)formamide

C80H82BrN15O5 — CID 159899924

IUPAC4-bromopyridin-2-amine;tert-butyl (3S)-3-[methyl-(4-phenyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate;(3S)-1-cyano-N-methyl-N-(4-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-4-phenylpyridin-2-amine;4-phenylpyridin-2-amine;N-(4-phenyl-2-pyridinyl)formamide
SMILESCN(C(=O)[C@H]1CCN(C#N)C1)c1cc(-c2ccccc2)ccn1.CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(-c2ccccc2)ccn1.CNc1cc(-c2ccccc2)ccn1.Nc1cc(-c2ccccc2)ccn1.Nc1cc(Br)ccn1.O=CNc1cc(-c2ccccc2)ccn1
InChIInChI=1S/C22H27N3O3.C18H18N4O.C12H10N2O.C12H12N2.C11H10N2.C5H5BrN2/c1-22(2,3)28-21(27)25-13-11-18(15-25)20(26)24(4)19-14-17(10-12-23-19)16-8-6-5-7-9-16;1-21(18(23)16-8-10-22(12-16)13-19)17-11-15(7-9-20-17)14-5-3-2-4-6-14;15-9-14-12-8-11(6-7-13-12)10-4-2-1-3-5-10;1-13-12-9-11(7-8-14-12)10-5-3-2-4-6-10;12-11-8-10(6-7-13-11)9-4-2-1-3-5-9;6-4-1-2-8-5(7)3-4/h5-10,12,14,18H,11,13,15H2,1-4H3;2-7,9,11,16H,8,10,12H2,1H3;1-9H,(H,13,14,15);2-9H,1H3,(H,13,14);1-8H,(H2,12,13);1-3H,(H2,7,8)/t18-;16-;;;;/m00..../s1
InChIKeyNVUZAEKMNZGENW-JAMPRGBMSA-N
MW1413.54 g/mol
LogP15.35
Rot. Bonds12

About 4-bromopyridin-2-amine;tert-butyl (3S)-3-[methyl-(4-phenyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate;(3S)-1-cyano-N-methyl-N-(4-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-4-phenylpyridin-2-amine;4-phenylpyridin-2-amine;N-(4-phenyl-2-pyridinyl)formamide

4-bromopyridin-2-amine;tert-butyl (3S)-3-[methyl-(4-phenyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate;(3S)-1-cyano-N-methyl-N-(4-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-4-phenylpyridin-2-amine;4-phenylpyridin-2-amine;N-(4-phenyl-2-pyridinyl)formamide (PubChem CID 159899924) has the molecular formula C80H82BrN15O5 and a molecular weight of 1413.54 g/mol. Its IUPAC name is 4-bromopyridin-2-amine;tert-butyl (3S)-3-[methyl-(4-phenyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate;(3S)-1-cyano-N-methyl-N-(4-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-4-phenylpyridin-2-amine;4-phenylpyridin-2-amine;N-(4-phenyl-2-pyridinyl)formamide.

Molecular Properties

Compound Name4-bromopyridin-2-amine;tert-butyl (3S)-3-[methyl-(4-phenyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate;(3S)-1-cyano-N-methyl-N-(4-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-4-phenylpyridin-2-amine;4-phenylpyridin-2-amine;N-(4-phenyl-2-pyridinyl)formamide
PubChem CID159899924
Molecular FormulaC80H82BrN15O5
Molecular Weight1413.54 g/mol
Exact Mass1411.58
IUPAC Name4-bromopyridin-2-amine;tert-butyl (3S)-3-[methyl-(4-phenyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate;(3S)-1-cyano-N-methyl-N-(4-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-4-phenylpyridin-2-amine;4-phenylpyridin-2-amine;N-(4-phenyl-2-pyridinyl)formamide
SMILESCN(C(=O)[C@H]1CCN(C#N)C1)c1cc(-c2ccccc2)ccn1.CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(-c2ccccc2)ccn1.CNc1cc(-c2ccccc2)ccn1.Nc1cc(-c2ccccc2)ccn1.Nc1cc(Br)ccn1.O=CNc1cc(-c2ccccc2)ccn1
InChIInChI=1S/C22H27N3O3.C18H18N4O.C12H10N2O.C12H12N2.C11H10N2.C5H5BrN2/c1-22(2,3)28-21(27)25-13-11-18(15-25)20(26)24(4)19-14-17(10-12-23-19)16-8-6-5-7-9-16;1-21(18(23)16-8-10-22(12-16)13-19)17-11-15(7-9-20-17)14-5-3-2-4-6-14;15-9-14-12-8-11(6-7-13-12)10-4-2-1-3-5-10;1-13-12-9-11(7-8-14-12)10-5-3-2-4-6-10;12-11-8-10(6-7-13-11)9-4-2-1-3-5-9;6-4-1-2-8-5(7)3-4/h5-10,12,14,18H,11,13,15H2,1-4H3;2-7,9,11,16H,8,10,12H2,1H3;1-9H,(H,13,14,15);2-9H,1H3,(H,13,14);1-8H,(H2,12,13);1-3H,(H2,7,8)/t18-;16-;;;;/m00..../s1
InChIKeyNVUZAEKMNZGENW-JAMPRGBMSA-N
XLogP15.35
TPSA267.70 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001413.54
LogP ≤ 515.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 4-bromopyridin-2-amine;tert-butyl (3S)-3-[methyl-(4-phenyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate;(3S)-1-cyano-N-methyl-N-(4-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-4-phenylpyridin-2-amine;4-phenylpyridin-2-amine;N-(4-phenyl-2-pyridinyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-chloropyridine;2-chloro-5-phenylpyridine;(3R)-1-cyano-N-methyl-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-5-phenylpyridin-2-amine
CID 157328334
5-bromo-N-ethylpyridin-2-amine;5-bromopyridin-2-amine;tert-butyl (3R)-3-[(5-bromo-2-pyridinyl)-ethylcarbamoyl]pyrrolidine-1-carboxylate;(3R)-1-cyano-N-[5-(4-cyanophenyl)-2-pyridinyl]-N-ethylpyrrolidine-3-carboxamide
CID 158327319
6-[4-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;(3-bromo-4-pyridinyl)methanamine;N-[(3-bromo-4-pyridinyl)methyl]acetamide;tert-butyl 6-[4-(acetamidomethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;N-[[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]methyl]acetamide
CID 158333576
2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;methane;4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid
CID 159107266
2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;tert-butyl 4-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-methyl-6-[2-[5-(1-methylpiperidin-4-yl)-3-pyridinyl]ethyl]pyridin-2-amine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid
CID 159741612
(3S)-N-[4-(2-amino-4-pyridinyl)-2-pyridinyl]-1-cyanopyrrolidine-3-carboxamide;(3S)-1-cyano-N-[4-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
CID 160397888

Frequently Asked Questions

What is the IUPAC name of 4-bromopyridin-2-amine;tert-butyl (3S)-3-[methyl-(4-phenyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate;(3S)-1-cyano-N-methyl-N-(4-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-4-phenylpyridin-2-amine;4-phenylpyridin-2-amine;N-(4-phenyl-2-pyridinyl)formamide?
The IUPAC name of 4-bromopyridin-2-amine;tert-butyl (3S)-3-[methyl-(4-phenyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate;(3S)-1-cyano-N-methyl-N-(4-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-4-phenylpyridin-2-amine;4-phenylpyridin-2-amine;N-(4-phenyl-2-pyridinyl)formamide (CID 159899924) is 4-bromopyridin-2-amine;tert-butyl (3S)-3-[methyl-(4-phenyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate;(3S)-1-cyano-N-methyl-N-(4-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-4-phenylpyridin-2-amine;4-phenylpyridin-2-amine;N-(4-phenyl-2-pyridinyl)formamide.
What is the SMILES notation for 4-bromopyridin-2-amine;tert-butyl (3S)-3-[methyl-(4-phenyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate;(3S)-1-cyano-N-methyl-N-(4-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-4-phenylpyridin-2-amine;4-phenylpyridin-2-amine;N-(4-phenyl-2-pyridinyl)formamide?
The canonical SMILES for 4-bromopyridin-2-amine;tert-butyl (3S)-3-[methyl-(4-phenyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate;(3S)-1-cyano-N-methyl-N-(4-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-4-phenylpyridin-2-amine;4-phenylpyridin-2-amine;N-(4-phenyl-2-pyridinyl)formamide is CN(C(=O)[C@H]1CCN(C#N)C1)c1cc(-c2ccccc2)ccn1.CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(-c2ccccc2)ccn1.CNc1cc(-c2ccccc2)ccn1.Nc1cc(-c2ccccc2)ccn1.Nc1cc(Br)ccn1.O=CNc1cc(-c2ccccc2)ccn1.
What is the InChIKey of 4-bromopyridin-2-amine;tert-butyl (3S)-3-[methyl-(4-phenyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate;(3S)-1-cyano-N-methyl-N-(4-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-4-phenylpyridin-2-amine;4-phenylpyridin-2-amine;N-(4-phenyl-2-pyridinyl)formamide?
The InChIKey is NVUZAEKMNZGENW-JAMPRGBMSA-N. The full InChI is InChI=1S/C22H27N3O3.C18H18N4O.C12H10N2O.C12H12N2.C11H10N2.C5H5BrN2/c1-22(2,3)28-21(27)25-13-11-18(15-25)20(26)24(4)19-14-17(10-12-23-19)16-8-6-5-7-9-16;1-21(18(23)16-8-10-22(12-16)13-19)17-11-15(7-9-20-17)14-5-3-2-4-6-14;15-9-14-12-8-11(6-7-13-12)10-4-2-1-3-5-10;1-13-12-9-11(7-8-14-12)10-5-3-2-4-6-10;12-11-8-10(6-7-13-11)9-4-2-1-3-5-9;6-4-1-2-8-5(7)3-4/h5-10,12,14,18H,11,13,15H2,1-4H3;2-7,9,11,16H,8,10,12H2,1H3;1-9H,(H,13,14,15);2-9H,1H3,(H,13,14);1-8H,(H2,12,13);1-3H,(H2,7,8)/t18-;16-;;;;/m00..../s1.
What are the key properties of 4-bromopyridin-2-amine;tert-butyl (3S)-3-[methyl-(4-phenyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate;(3S)-1-cyano-N-methyl-N-(4-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-4-phenylpyridin-2-amine;4-phenylpyridin-2-amine;N-(4-phenyl-2-pyridinyl)formamide?
4-bromopyridin-2-amine;tert-butyl (3S)-3-[methyl-(4-phenyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate;(3S)-1-cyano-N-methyl-N-(4-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-4-phenylpyridin-2-amine;4-phenylpyridin-2-amine;N-(4-phenyl-2-pyridinyl)formamide has a molecular weight of 1413.54 g/mol, XLogP of 15.35, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopyridin-2-amine;tert-butyl (3S)-3-[methyl-(4-phenyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate;(3S)-1-cyano-N-methyl-N-(4-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;N-methyl-4-phenylpyridin-2-amine;4-phenylpyridin-2-amine;N-(4-phenyl-2-pyridinyl)formamide is sourced from PubChem (CID 159899924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).