2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide

C15H14ClN3O3 — CID 60572102

IUPAC2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1O)c1ccnc(Cl)c1
InChIInChI=1S/C15H14ClN3O3/c16-13-9-10(5-6-17-13)14(21)18-7-8-19-15(22)11-3-1-2-4-12(11)20/h1-6,9,20H,7-8H2,(H,18,21)(H,19,22)
InChIKeyKHSDOVVWWDFANE-UHFFFAOYSA-N
MW319.75 g/mol
LogP1.60
Rot. Bonds5

About 2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide

2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide (PubChem CID 60572102) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide
PubChem CID60572102
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1O)c1ccnc(Cl)c1
InChIInChI=1S/C15H14ClN3O3/c16-13-9-10(5-6-17-13)14(21)18-7-8-19-15(22)11-3-1-2-4-12(11)20/h1-6,9,20H,7-8H2,(H,18,21)(H,19,22)
InChIKeyKHSDOVVWWDFANE-UHFFFAOYSA-N
XLogP1.60
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-[(2,6-difluorobenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 56805447
2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide
CID 111472064
3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540088
2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide
CID 14054594
2-chloro-N-(3-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115604079
2-chloro-N-pent-3-ynylpyridine-4-carboxamide
CID 115977384
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783
N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
CID 103743995

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide (CID 60572102) is 2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide is O=C(NCCNC(=O)c1ccccc1O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide?
The InChIKey is KHSDOVVWWDFANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c16-13-9-10(5-6-17-13)14(21)18-7-8-19-15(22)11-3-1-2-4-12(11)20/h1-6,9,20H,7-8H2,(H,18,21)(H,19,22).
What are the key properties of 2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide?
2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide has a molecular weight of 319.75 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 60572102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).