N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen

C19H22N6O2 — CID 155698826

IUPACN-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen
SMILES[H]/N=C(\c1ccoc1)c1cc(NC(=O)c2cc3[nH]cnc3nc2C)ccc1N.[H][H].[H][H].[H][H]
InChIInChI=1S/C19H16N6O2.3H2/c1-10-13(7-16-18(24-10)23-9-22-16)19(26)25-12-2-3-15(20)14(6-12)17(21)11-4-5-27-8-11;;;/h2-9,21H,20H2,1H3,(H,25,26)(H,22,23,24);3*1H/b21-17+;;;
InChIKeyWKXVYPAXDJGSQS-XQKVXRCISA-N
MW366.42 g/mol
LogP3.85
Rot. Bonds4

About N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen

N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen (PubChem CID 155698826) has the molecular formula C19H22N6O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen
PubChem CID155698826
Molecular FormulaC19H22N6O2
Molecular Weight366.42 g/mol
Exact Mass366.18
IUPAC NameN-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen
SMILES[H]/N=C(\c1ccoc1)c1cc(NC(=O)c2cc3[nH]cnc3nc2C)ccc1N.[H][H].[H][H].[H][H]
InChIInChI=1S/C19H16N6O2.3H2/c1-10-13(7-16-18(24-10)23-9-22-16)19(26)25-12-2-3-15(20)14(6-12)17(21)11-4-5-27-8-11;;;/h2-9,21H,20H2,1H3,(H,25,26)(H,22,23,24);3*1H/b21-17+;;;
InChIKeyWKXVYPAXDJGSQS-XQKVXRCISA-N
XLogP3.85
TPSA133.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-amino-3-(benzenecarboximidoyl)phenyl]-6-methyl-1H-benzimidazole-5-carboxamide;molecular hydrogen
CID 155698794
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 155135058
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-3-cyano-2-methylbenzamide
CID 155481992
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-methylbenzamide
CID 155481757
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-chloro-5-cyanopyridine-2-carboxamide
CID 155481986
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
CID 155135077
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-4-cyano-2-fluorobenzamide
CID 155482453
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-ethynyl-1,2-thiazole-3-carboxamide
CID 155574901
3,4-diamino-N-[4-amino-3-(pyridine-4-carboximidoyl)phenyl]-2-methylbenzamide
CID 155134753
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide
CID 155134676
3-cyano-N-[3-(furan-3-carboximidoyl)-4-methylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 167698553
N-[4-amino-3-(2-methyl-1,3-oxazole-5-carboximidoyl)phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482169

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen?
The IUPAC name of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen (CID 155698826) is N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen?
The canonical SMILES for N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen is [H]/N=C(\c1ccoc1)c1cc(NC(=O)c2cc3[nH]cnc3nc2C)ccc1N.[H][H].[H][H].[H][H].
What is the InChIKey of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen?
The InChIKey is WKXVYPAXDJGSQS-XQKVXRCISA-N. The full InChI is InChI=1S/C19H16N6O2.3H2/c1-10-13(7-16-18(24-10)23-9-22-16)19(26)25-12-2-3-15(20)14(6-12)17(21)11-4-5-27-8-11;;;/h2-9,21H,20H2,1H3,(H,25,26)(H,22,23,24);3*1H/b21-17+;;;.
What are the key properties of N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen?
N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen has a molecular weight of 366.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(furan-3-carboximidoyl)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide;molecular hydrogen is sourced from PubChem (CID 155698826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).