N-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C16H15N5O3 — CID 71862115

IUPACN-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCC(NC(=O)c1ccc2nncn2c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15N5O3/c1-2-14(11-4-3-5-13(8-11)21(23)24)18-16(22)12-6-7-15-19-17-10-20(15)9-12/h3-10,14H,2H2,1H3,(H,18,22)
InChIKeyIKJHXZCHGTVIAL-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.52
Rot. Bonds5

About N-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 71862115) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID71862115
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC NameN-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCCC(NC(=O)c1ccc2nncn2c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15N5O3/c1-2-14(11-4-3-5-13(8-11)21(23)24)18-16(22)12-6-7-15-19-17-10-20(15)9-12/h3-10,14H,2H2,1H3,(H,18,22)
InChIKeyIKJHXZCHGTVIAL-UHFFFAOYSA-N
XLogP2.52
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide
CID 11392415
4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide
CID 71977496
(3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
CID 7310726
(3S)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
CID 7310727
2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43545307
N-[1-(3-nitrophenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815921
4-amino-N-[1-(3-nitrophenyl)propyl]butanamide
CID 119342113
(3S)-3-[(2,6-dichlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
CID 7300595
2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 65315335
3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119952385
3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid
CID 75421347
2-ethyl-2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 103935771

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 71862115) is N-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCC(NC(=O)c1ccc2nncn2c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is IKJHXZCHGTVIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-2-14(11-4-3-5-13(8-11)21(23)24)18-16(22)12-6-7-15-19-17-10-20(15)9-12/h3-10,14H,2H2,1H3,(H,18,22).
What are the key properties of N-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 71862115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).