6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide

C21H25N5O — CID 150933568

IUPAC6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCC(C)Cn1ccc(-c2cnc(N)c(-c3ccc(C(=O)N(C)C)cn3)c2)c1
InChIInChI=1S/C21H25N5O/c1-14(2)12-26-8-7-16(13-26)17-9-18(20(22)24-11-17)19-6-5-15(10-23-19)21(27)25(3)4/h5-11,13-14H,12H2,1-4H3,(H2,22,24)
InChIKeyLGNPKLQUIRJOEL-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.55
Rot. Bonds5

About 6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide

6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 150933568) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID150933568
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCC(C)Cn1ccc(-c2cnc(N)c(-c3ccc(C(=O)N(C)C)cn3)c2)c1
InChIInChI=1S/C21H25N5O/c1-14(2)12-26-8-7-16(13-26)17-9-18(20(22)24-11-17)19-6-5-15(10-23-19)21(27)25(3)4/h5-11,13-14H,12H2,1-4H3,(H2,22,24)
InChIKeyLGNPKLQUIRJOEL-UHFFFAOYSA-N
XLogP3.55
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-amino-5-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 151559195
6-[2-amino-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
CID 142612752
6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
CID 147113539
6-[2-amino-5-[2-(pyrrolidine-1-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
CID 148917248
4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-benzyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 147751869
6-[2-amino-5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
CID 147924064
4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 155210718
4-[6-amino-5-[5-(dimethylcarbamoyl)-2-pyridinyl]-3-pyridinyl]-N-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 147732503
N,N-dimethyl-6-[5-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 164577833
N,N-dimethyl-6-[5-(1-methyl-3-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 175122400
6-amino-N,N,5-trimethylpyridine-3-carboxamide;ethane
CID 178150598
6-(1H-indol-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 155010351

Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide (CID 150933568) is 6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide is CC(C)Cn1ccc(-c2cnc(N)c(-c3ccc(C(=O)N(C)C)cn3)c2)c1.
What is the InChIKey of 6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is LGNPKLQUIRJOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14(2)12-26-8-7-16(13-26)17-9-18(20(22)24-11-17)19-6-5-15(10-23-19)21(27)25(3)4/h5-11,13-14H,12H2,1-4H3,(H2,22,24).
What are the key properties of 6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide?
6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-5-[1-(2-methylpropyl)pyrrol-3-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 150933568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).