2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide

C17H20ClN3O — CID 37245133

IUPAC2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide
SMILESCCN(CCCNC(=O)c1ccnc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H20ClN3O/c1-2-21(15-7-4-3-5-8-15)12-6-10-20-17(22)14-9-11-19-16(18)13-14/h3-5,7-9,11,13H,2,6,10,12H2,1H3,(H,20,22)
InChIKeySPSDRQLJDLEUCK-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.38
Rot. Bonds7

About 2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide

2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide (PubChem CID 37245133) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide
PubChem CID37245133
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide
SMILESCCN(CCCNC(=O)c1ccnc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H20ClN3O/c1-2-21(15-7-4-3-5-8-15)12-6-10-20-17(22)14-9-11-19-16(18)13-14/h3-5,7-9,11,13H,2,6,10,12H2,1H3,(H,20,22)
InChIKeySPSDRQLJDLEUCK-UHFFFAOYSA-N
XLogP3.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-ethoxy-N-[3-(N-ethylanilino)propyl]-3-methoxybenzamide
CID 41278240
4-chloro-N-[3-(N-ethylanilino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24550601
3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 27897925
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174754
3-(N-ethylanilino)propylurea
CID 112708177
2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 60572102
N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide
CID 26035305
3-(cyclopropanecarbonylamino)-N-[3-(N-ethylanilino)propyl]benzamide
CID 31591035
3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104877898
N-[3-(N-ethylanilino)propyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 24667471

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide (CID 37245133) is 2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide is CCN(CCCNC(=O)c1ccnc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide?
The InChIKey is SPSDRQLJDLEUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-2-21(15-7-4-3-5-8-15)12-6-10-20-17(22)14-9-11-19-16(18)13-14/h3-5,7-9,11,13H,2,6,10,12H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide?
2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 37245133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).