2-(pentylamino)-1H-imidazo[4,5-b]pyridine-6-carboxamide

C12H17N5O — CID 66765353

IUPAC2-(pentylamino)-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCCCCNc1nc2ncc(C(N)=O)cc2[nH]1
InChIInChI=1S/C12H17N5O/c1-2-3-4-5-14-12-16-9-6-8(10(13)18)7-15-11(9)17-12/h6-7H,2-5H2,1H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyMDBGVYCZTYQJKD-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.66
Rot. Bonds6

About 2-(pentylamino)-1H-imidazo[4,5-b]pyridine-6-carboxamide

2-(pentylamino)-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 66765353) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(pentylamino)-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(pentylamino)-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID66765353
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-(pentylamino)-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCCCCNc1nc2ncc(C(N)=O)cc2[nH]1
InChIInChI=1S/C12H17N5O/c1-2-3-4-5-14-12-16-9-6-8(10(13)18)7-15-11(9)17-12/h6-7H,2-5H2,1H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyMDBGVYCZTYQJKD-UHFFFAOYSA-N
XLogP1.66
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(hexylamino)pyridine-3-carboxamide
CID 112722796
2-bromo-1-[2-(nonylamino)-1H-imidazol-5-yl]ethanone
CID 71319813
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
6-chloro-N-[4-(3,5-dichlorophenyl)butyl]-1H-imidazo[4,5-b]pyridin-2-amine
CID 161280733
N-propyl-7H-purin-8-amine
CID 54527137
5-cyano-6-(heptylamino)pyrazine-2-carboxamide
CID 52918028
4-(heptylamino)-3-methylbenzamide
CID 43706885
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
4-chloro-3-(hexylamino)benzamide
CID 43679410
N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263782
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
2-(pentylamino)-1,3-thiazole-4-carboxamide
CID 69456979

Frequently Asked Questions

What is the IUPAC name of 2-(pentylamino)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-(pentylamino)-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 66765353) is 2-(pentylamino)-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-(pentylamino)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-(pentylamino)-1H-imidazo[4,5-b]pyridine-6-carboxamide is CCCCCNc1nc2ncc(C(N)=O)cc2[nH]1.
What is the InChIKey of 2-(pentylamino)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is MDBGVYCZTYQJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-3-4-5-14-12-16-9-6-8(10(13)18)7-15-11(9)17-12/h6-7H,2-5H2,1H3,(H2,13,18)(H2,14,15,16,17).
What are the key properties of 2-(pentylamino)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
2-(pentylamino)-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 66765353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).