N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide

C15H14ClN3O2 — CID 3975684

IUPACN-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O2/c16-13-5-3-11(4-6-13)14(20)18-8-9-19-15(21)12-2-1-7-17-10-12/h1-7,10H,8-9H2,(H,18,20)(H,19,21)
InChIKeyPKKLIIUWVWTACO-UHFFFAOYSA-N
MW303.75 g/mol
LogP1.89
Rot. Bonds5

About N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide

N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 3975684) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
PubChem CID3975684
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O2/c16-13-5-3-11(4-6-13)14(20)18-8-9-19-15(21)12-2-1-7-17-10-12/h1-7,10H,8-9H2,(H,18,20)(H,19,21)
InChIKeyPKKLIIUWVWTACO-UHFFFAOYSA-N
XLogP1.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 51.89
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-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]ethyl]pyridine-3-carboxamide
CID 39580126
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide
CID 39578256
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 55690188
N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 56545663
N-[2-[[N'-[(4-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111131763
4-chloro-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066456

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide (CID 3975684) is N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide is O=C(NCCNC(=O)c1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is PKKLIIUWVWTACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-13-5-3-11(4-6-13)14(20)18-8-9-19-15(21)12-2-1-7-17-10-12/h1-7,10H,8-9H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide?
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 3975684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).