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

C16H17N3O2 — CID 2985921

IUPACN-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccccc1C(=O)NCCNC(=O)c1cccnc1
InChIInChI=1S/C16H17N3O2/c1-12-5-2-3-7-14(12)16(21)19-10-9-18-15(20)13-6-4-8-17-11-13/h2-8,11H,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyHFEHXVQKOKSLNQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.55
Rot. Bonds5

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

N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 2985921) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
PubChem CID2985921
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccccc1C(=O)NCCNC(=O)c1cccnc1
InChIInChI=1S/C16H17N3O2/c1-12-5-2-3-7-14(12)16(21)19-10-9-18-15(20)13-6-4-8-17-11-13/h2-8,11H,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyHFEHXVQKOKSLNQ-UHFFFAOYSA-N
XLogP1.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.55
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-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2992500
2-methyl-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 51163103
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-2-carboxamide
CID 39022305
N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide
CID 108926636
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[2-[(3-bromobenzoyl)amino]ethyl]-2-methylbenzamide
CID 108539696
2-(methylamino)-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-4-carboxamide
CID 74240609
N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 3338118
N-octadecylpyridine-3-carboxamide
CID 3547337
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide (CID 2985921) is N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide is Cc1ccccc1C(=O)NCCNC(=O)c1cccnc1.
What is the InChIKey of N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is HFEHXVQKOKSLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-5-2-3-7-14(12)16(21)19-10-9-18-15(20)13-6-4-8-17-11-13/h2-8,11H,9-10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide?
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 2985921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).