4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide

C21H26N4O — CID 146288647

IUPAC4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide
SMILESCCCCn1ccc2c(Nc3c(C)cc(C(=O)NC)cc3C)nccc21
InChIInChI=1S/C21H26N4O/c1-5-6-10-25-11-8-17-18(25)7-9-23-20(17)24-19-14(2)12-16(13-15(19)3)21(26)22-4/h7-9,11-13H,5-6,10H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyINUPTJDEMFUMHR-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.56
Rot. Bonds6

About 4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide

4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide (PubChem CID 146288647) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide.

Molecular Properties

Compound Name4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide
PubChem CID146288647
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide
SMILESCCCCn1ccc2c(Nc3c(C)cc(C(=O)NC)cc3C)nccc21
InChIInChI=1S/C21H26N4O/c1-5-6-10-25-11-8-17-18(25)7-9-23-20(17)24-19-14(2)12-16(13-15(19)3)21(26)22-4/h7-9,11-13H,5-6,10H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyINUPTJDEMFUMHR-UHFFFAOYSA-N
XLogP4.56
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine
CID 146288452
(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol
CID 146288476
(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;(2S)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;methane
CID 158234871
N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine
CID 146288451
2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
CID 153376821
1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine
CID 162002734
N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane
CID 153376876
1-butyl-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288668
methyl 4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,5-dimethylbenzoate
CID 146288201
N-(2,4-dimethyl-3-pyridinyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288653
N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 162464315
2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 146283885

Frequently Asked Questions

What is the IUPAC name of 4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide?
The IUPAC name of 4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide (CID 146288647) is 4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide.
What is the SMILES notation for 4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide?
The canonical SMILES for 4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide is CCCCn1ccc2c(Nc3c(C)cc(C(=O)NC)cc3C)nccc21.
What is the InChIKey of 4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide?
The InChIKey is INUPTJDEMFUMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-5-6-10-25-11-8-17-18(25)7-9-23-20(17)24-19-14(2)12-16(13-15(19)3)21(26)22-4/h7-9,11-13H,5-6,10H2,1-4H3,(H,22,26)(H,23,24).
What are the key properties of 4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide?
4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide has a molecular weight of 350.47 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide is sourced from PubChem (CID 146288647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).