4-amino-6-pentyl-1-(pyridin-3-ylmethyl)-3H-imidazo[4,5-c]pyridin-2-one

C17H21N5O — CID 58083258

IUPAC4-amino-6-pentyl-1-(pyridin-3-ylmethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCCCCCc1cc2c([nH]c(=O)n2Cc2cccnc2)c(N)n1
InChIInChI=1S/C17H21N5O/c1-2-3-4-7-13-9-14-15(16(18)20-13)21-17(23)22(14)11-12-6-5-8-19-10-12/h5-6,8-10H,2-4,7,11H2,1H3,(H2,18,20)(H,21,23)
InChIKeyRGRWANQWDMIRFQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.48
Rot. Bonds6

About 4-amino-6-pentyl-1-(pyridin-3-ylmethyl)-3H-imidazo[4,5-c]pyridin-2-one

4-amino-6-pentyl-1-(pyridin-3-ylmethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 58083258) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-amino-6-pentyl-1-(pyridin-3-ylmethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-6-pentyl-1-(pyridin-3-ylmethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID58083258
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name4-amino-6-pentyl-1-(pyridin-3-ylmethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCCCCCc1cc2c([nH]c(=O)n2Cc2cccnc2)c(N)n1
InChIInChI=1S/C17H21N5O/c1-2-3-4-7-13-9-14-15(16(18)20-13)21-17(23)22(14)11-12-6-5-8-19-10-12/h5-6,8-10H,2-4,7,11H2,1H3,(H2,18,20)(H,21,23)
InChIKeyRGRWANQWDMIRFQ-UHFFFAOYSA-N
XLogP2.48
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.48
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

6-amino-2-methylsulfanyl-9-(pyridin-3-ylmethyl)-7H-purin-8-one
CID 122671795
6-amino-9-benzyl-2-butyl-7H-purin-8-one
CID 11779385
4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 24765332
6-amino-2-(butylamino)-9-(naphthalen-2-ylmethyl)-7H-purin-8-one
CID 11646237
2-ethoxy-9-(pyridin-3-ylmethyl)-7H-purin-8-one
CID 146309189
2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376197
6-amino-2-(butylamino)-9-[(4-ethylphenyl)methyl]-7H-purin-8-one
CID 126630337
6-amino-9-[(4-aminophenyl)methyl]-2-(butylamino)-7H-purin-8-one
CID 86705213
2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
CID 55079755
2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873406
4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-[[(2S)-oxolan-2-yl]methoxy]-3H-imidazo[4,5-c]pyridin-2-one
CID 42606892
6-amino-2-butoxy-9-(naphthalen-2-ylmethyl)-7H-purin-8-one
CID 22928916

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-pentyl-1-(pyridin-3-ylmethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-6-pentyl-1-(pyridin-3-ylmethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 58083258) is 4-amino-6-pentyl-1-(pyridin-3-ylmethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-6-pentyl-1-(pyridin-3-ylmethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-6-pentyl-1-(pyridin-3-ylmethyl)-3H-imidazo[4,5-c]pyridin-2-one is CCCCCc1cc2c([nH]c(=O)n2Cc2cccnc2)c(N)n1.
What is the InChIKey of 4-amino-6-pentyl-1-(pyridin-3-ylmethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is RGRWANQWDMIRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-2-3-4-7-13-9-14-15(16(18)20-13)21-17(23)22(14)11-12-6-5-8-19-10-12/h5-6,8-10H,2-4,7,11H2,1H3,(H2,18,20)(H,21,23).
What are the key properties of 4-amino-6-pentyl-1-(pyridin-3-ylmethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-6-pentyl-1-(pyridin-3-ylmethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 311.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-pentyl-1-(pyridin-3-ylmethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 58083258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).