N-[4-(3-aminopropyl)phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C16H17N5O2 — CID 166361768

IUPACN-[4-(3-aminopropyl)phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESNCCCc1ccc(NC(=O)c2ccc3n[nH]c(=O)n3c2)cc1
InChIInChI=1S/C16H17N5O2/c17-9-1-2-11-3-6-13(7-4-11)18-15(22)12-5-8-14-19-20-16(23)21(14)10-12/h3-8,10H,1-2,9,17H2,(H,18,22)(H,20,23)
InChIKeyXVJBSQSWHJIWEC-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.17
Rot. Bonds5

About N-[4-(3-aminopropyl)phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[4-(3-aminopropyl)phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 166361768) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[4-(3-aminopropyl)phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminopropyl)phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID166361768
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-[4-(3-aminopropyl)phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESNCCCc1ccc(NC(=O)c2ccc3n[nH]c(=O)n3c2)cc1
InChIInChI=1S/C16H17N5O2/c17-9-1-2-11-3-6-13(7-4-11)18-15(22)12-5-8-14-19-20-16(23)21(14)10-12/h3-8,10H,1-2,9,17H2,(H,18,22)(H,20,23)
InChIKeyXVJBSQSWHJIWEC-UHFFFAOYSA-N
XLogP1.17
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 126843660
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 167992973
N-cyclopropyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 112707994
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide
CID 42658273
N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide
CID 28754642
N-(4-butylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26268853
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide
CID 60630583
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 167762724
4-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide
CID 42000315
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropyl)phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-(3-aminopropyl)phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 166361768) is N-[4-(3-aminopropyl)phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-(3-aminopropyl)phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-(3-aminopropyl)phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is NCCCc1ccc(NC(=O)c2ccc3n[nH]c(=O)n3c2)cc1.
What is the InChIKey of N-[4-(3-aminopropyl)phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is XVJBSQSWHJIWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c17-9-1-2-11-3-6-13(7-4-11)18-15(22)12-5-8-14-19-20-16(23)21(14)10-12/h3-8,10H,1-2,9,17H2,(H,18,22)(H,20,23).
What are the key properties of N-[4-(3-aminopropyl)phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[4-(3-aminopropyl)phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropyl)phenyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 166361768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).