N-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride

C51H62ClN9O7 — CID 167556015

IUPACN-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
SMILESCC(C)(C)c1nc(C(=O)O)no1.Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1[C@@H](C)CC(=O)c1noc(C(C)(C)C)n1.Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1[C@@H](C)N.Cl
InChIInChI=1S/C26H30N4O3.C18H21N3O.C7H10N2O3.ClH/c1-15-12-18(19-10-11-27-22(14-19)28-24(32)17-6-7-17)8-9-20(15)16(2)13-21(31)23-29-25(33-30-23)26(3,4)5;1-11-9-14(5-6-16(11)12(2)19)15-7-8-20-17(10-15)21-18(22)13-3-4-13;1-7(2,3)6-8-4(5(10)11)9-12-6;/h8-12,14,16-17H,6-7,13H2,1-5H3,(H,27,28,32);5-10,12-13H,3-4,19H2,1-2H3,(H,20,21,22);1-3H3,(H,10,11);1H/t16-;12-;;/m01../s1
InChIKeyDUNZEWDFSCPQHU-GNSDICCZSA-N
MW948.57 g/mol
LogP10.37
Rot. Bonds12

About N-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride

N-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 167556015) has the molecular formula C51H62ClN9O7 and a molecular weight of 948.57 g/mol. Its IUPAC name is N-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
PubChem CID167556015
Molecular FormulaC51H62ClN9O7
Molecular Weight948.57 g/mol
Exact Mass947.45
IUPAC NameN-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
SMILESCC(C)(C)c1nc(C(=O)O)no1.Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1[C@@H](C)CC(=O)c1noc(C(C)(C)C)n1.Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1[C@@H](C)N.Cl
InChIInChI=1S/C26H30N4O3.C18H21N3O.C7H10N2O3.ClH/c1-15-12-18(19-10-11-27-22(14-19)28-24(32)17-6-7-17)8-9-20(15)16(2)13-21(31)23-29-25(33-30-23)26(3,4)5;1-11-9-14(5-6-16(11)12(2)19)15-7-8-20-17(10-15)21-18(22)13-3-4-13;1-7(2,3)6-8-4(5(10)11)9-12-6;/h8-12,14,16-17H,6-7,13H2,1-5H3,(H,27,28,32);5-10,12-13H,3-4,19H2,1-2H3,(H,20,21,22);1-3H3,(H,10,11);1H/t16-;12-;;/m01../s1
InChIKeyDUNZEWDFSCPQHU-GNSDICCZSA-N
XLogP10.37
TPSA242.21 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500948.57
LogP ≤ 510.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze N-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride with MolForge

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Related Compounds

N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 167597399
N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide
CID 167663917
N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 167685178
N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 155288152
3-tert-butyl-N-[1-[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-2-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 155288003
1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid
CID 155288407
N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 167679607
N-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-5-fluoro-2-pyridinyl]cyclopropanecarboxamide;tert-butyl N-[(1R)-1-[4-[2-(cyclopropanecarbonylamino)-5-fluoro-4-pyridinyl]-2-methylphenyl]ethyl]carbamate;hydrochloride
CID 167604387
4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[(5S)-2-[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone
CID 158329358
5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid
CID 19786334
sodium 5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid
CID 169410143
N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 129261123

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride (CID 167556015) is N-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride is CC(C)(C)c1nc(C(=O)O)no1.Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1[C@@H](C)CC(=O)c1noc(C(C)(C)C)n1.Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1[C@@H](C)N.Cl.
What is the InChIKey of N-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is DUNZEWDFSCPQHU-GNSDICCZSA-N. The full InChI is InChI=1S/C26H30N4O3.C18H21N3O.C7H10N2O3.ClH/c1-15-12-18(19-10-11-27-22(14-19)28-24(32)17-6-7-17)8-9-20(15)16(2)13-21(31)23-29-25(33-30-23)26(3,4)5;1-11-9-14(5-6-16(11)12(2)19)15-7-8-20-17(10-15)21-18(22)13-3-4-13;1-7(2,3)6-8-4(5(10)11)9-12-6;/h8-12,14,16-17H,6-7,13H2,1-5H3,(H,27,28,32);5-10,12-13H,3-4,19H2,1-2H3,(H,20,21,22);1-3H3,(H,10,11);1H/t16-;12-;;/m01../s1.
What are the key properties of N-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride?
N-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 948.57 g/mol, XLogP of 10.37, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 167556015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).