1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C19H21N5O2 — CID 109067153

IUPAC1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)NCc2cccnc2)n2ccccc12
InChIInChI=1S/C19H21N5O2/c1-2-3-10-21-18(25)16-15-8-4-5-11-24(15)17(23-16)19(26)22-13-14-7-6-9-20-12-14/h4-9,11-12H,2-3,10,13H2,1H3,(H,21,25)(H,22,26)
InChIKeyYASWRBWNQBFAQD-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.19
Rot. Bonds7

About 1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109067153) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109067153
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCCNC(=O)c1nc(C(=O)NCc2cccnc2)n2ccccc12
InChIInChI=1S/C19H21N5O2/c1-2-3-10-21-18(25)16-15-8-4-5-11-24(15)17(23-16)19(26)22-13-14-7-6-9-20-12-14/h4-9,11-12H,2-3,10,13H2,1H3,(H,21,25)(H,22,26)
InChIKeyYASWRBWNQBFAQD-UHFFFAOYSA-N
XLogP2.19
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070680
3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070267
3-N-butyl-3-N-methyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070647
1-N-(2-fluorophenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070701
3-N-[(4-methylphenyl)methyl]-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070393
1-N-(2,5-dimethylphenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070693
1-N-[(4-chlorophenyl)methyl]-3-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070525
N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067927
1-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068386
1-N-butyl-3-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067130
3-N-[(4-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065877
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070651

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109067153) is 1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCCNC(=O)c1nc(C(=O)NCc2cccnc2)n2ccccc12.
What is the InChIKey of 1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is YASWRBWNQBFAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-3-10-21-18(25)16-15-8-4-5-11-24(15)17(23-16)19(26)22-13-14-7-6-9-20-12-14/h4-9,11-12H,2-3,10,13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109067153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).