6-amino-7-pentyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one

C11H16N4O — CID 67614112

IUPAC6-amino-7-pentyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one
SMILESCCCCCc1c(N)[nH]c(=O)c2[nH]cnc12
InChIInChI=1S/C11H16N4O/c1-2-3-4-5-7-8-9(14-6-13-8)11(16)15-10(7)12/h6H,2-5H2,1H3,(H,13,14)(H3,12,15,16)
InChIKeyHEHPWGVXCAZECX-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.57
Rot. Bonds4

About 6-amino-7-pentyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one

6-amino-7-pentyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one (PubChem CID 67614112) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 6-amino-7-pentyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-amino-7-pentyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one
PubChem CID67614112
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name6-amino-7-pentyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one
SMILESCCCCCc1c(N)[nH]c(=O)c2[nH]cnc12
InChIInChI=1S/C11H16N4O/c1-2-3-4-5-7-8-9(14-6-13-8)11(16)15-10(7)12/h6H,2-5H2,1H3,(H,13,14)(H3,12,15,16)
InChIKeyHEHPWGVXCAZECX-UHFFFAOYSA-N
XLogP1.57
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-1H-benzimidazole-4,7-dione
CID 12318781
5-Butyl-1-methyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-4-one
CID 10083918
6-Amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one
CID 10241618
6-Amino-7-nonyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one
CID 10446168
N-methyl-5-propyl-1H-imidazole-4-carboxamide
CID 11126656
N-hexyl-5-propyl-1H-imidazole-4-carboxamide
CID 11128327
6-Amino-7-prop-2-enyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride
CID 21852242
6-Amino-7-nonyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one;hydrochloride
CID 21852243
7-Methyl-3H-imidazo[4,5-c]pyridin-4(5H)-one
CID 55286042
5-(3-aminopropyl)-1H-imidazole-4-carboxamide
CID 57316062
6-amino-1-pentyl-7-prop-2-enyl-5H-imidazo[4,5-c]pyridin-4-one
CID 67767820
5-propyl-1H-imidazole-4-carboxamide
CID 69802167

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-pentyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one?
The IUPAC name of 6-amino-7-pentyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one (CID 67614112) is 6-amino-7-pentyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-amino-7-pentyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-amino-7-pentyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one is CCCCCc1c(N)[nH]c(=O)c2[nH]cnc12.
What is the InChIKey of 6-amino-7-pentyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one?
The InChIKey is HEHPWGVXCAZECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-3-4-5-7-8-9(14-6-13-8)11(16)15-10(7)12/h6H,2-5H2,1H3,(H,13,14)(H3,12,15,16).
What are the key properties of 6-amino-7-pentyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one?
6-amino-7-pentyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one has a molecular weight of 220.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-pentyl-3,5-dihydroimidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 67614112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).