N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide

C17H19N3O2 — CID 2992500

IUPACN-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
SMILESCc1ccccc1C(=O)NCCCNC(=O)c1cccnc1
InChIInChI=1S/C17H19N3O2/c1-13-6-2-3-8-15(13)17(22)20-11-5-10-19-16(21)14-7-4-9-18-12-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyQBDRQEVNMKTKBZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.94
Rot. Bonds6

About N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide

N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide (PubChem CID 2992500) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
PubChem CID2992500
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
SMILESCc1ccccc1C(=O)NCCCNC(=O)c1cccnc1
InChIInChI=1S/C17H19N3O2/c1-13-6-2-3-8-15(13)17(22)20-11-5-10-19-16(21)14-7-4-9-18-12-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyQBDRQEVNMKTKBZ-UHFFFAOYSA-N
XLogP1.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
2-methyl-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 51163103
N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide
CID 108926636
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide
CID 108926624
N-octadecylpyridine-3-carboxamide
CID 3547337
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
2-chloro-6-methyl-N-[6-(pyridine-3-carbonylamino)hexyl]pyridine-3-carboxamide
CID 139790049
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide (CID 2992500) is N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide is Cc1ccccc1C(=O)NCCCNC(=O)c1cccnc1.
What is the InChIKey of N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide?
The InChIKey is QBDRQEVNMKTKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-6-2-3-8-15(13)17(22)20-11-5-10-19-16(21)14-7-4-9-18-12-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide?
N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 2992500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).