N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide

C18H17N7O — CID 167913202

IUPACN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1cnc2cc(C(=O)Nc3ccc(-c4n[nH]c(CN)n4)cc3)ccn12
InChIInChI=1S/C18H17N7O/c1-11-10-20-16-8-13(6-7-25(11)16)18(26)21-14-4-2-12(3-5-14)17-22-15(9-19)23-24-17/h2-8,10H,9,19H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyAFLUXSDKXZFHPH-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.14
Rot. Bonds4

About N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide

N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 167913202) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID167913202
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC NameN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1cnc2cc(C(=O)Nc3ccc(-c4n[nH]c(CN)n4)cc3)ccn12
InChIInChI=1S/C18H17N7O/c1-11-10-20-16-8-13(6-7-25(11)16)18(26)21-14-4-2-12(3-5-14)17-22-15(9-19)23-24-17/h2-8,10H,9,19H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyAFLUXSDKXZFHPH-UHFFFAOYSA-N
XLogP2.14
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 120566837
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 167762724
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 120566438
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-[butyl(methyl)amino]benzamide
CID 120566475
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide
CID 120566661
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 120566098
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 120566660
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120566235
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
CID 120566104
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-methylpentanamide;hydrochloride
CID 120566330
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3,3,3-trifluoropropanamide
CID 120566433
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-propoxyacetamide
CID 120566401

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide (CID 167913202) is N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide is Cc1cnc2cc(C(=O)Nc3ccc(-c4n[nH]c(CN)n4)cc3)ccn12.
What is the InChIKey of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is AFLUXSDKXZFHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-11-10-20-16-8-13(6-7-25(11)16)18(26)21-14-4-2-12(3-5-14)17-22-15(9-19)23-24-17/h2-8,10H,9,19H2,1H3,(H,21,26)(H,22,23,24).
What are the key properties of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide?
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-methylimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 167913202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).