4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide

C18H20ClN3O2 — CID 18115585

IUPAC4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide
SMILESCCCC(NC(=O)CNC(=O)c1cc(Cl)ccn1)c1ccccc1
InChIInChI=1S/C18H20ClN3O2/c1-2-6-15(13-7-4-3-5-8-13)22-17(23)12-21-18(24)16-11-14(19)9-10-20-16/h3-5,7-11,15H,2,6,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyJCBPSVYNQAFLOX-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.12
Rot. Bonds7

About 4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide

4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide (PubChem CID 18115585) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide
PubChem CID18115585
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide
SMILESCCCC(NC(=O)CNC(=O)c1cc(Cl)ccn1)c1ccccc1
InChIInChI=1S/C18H20ClN3O2/c1-2-6-15(13-7-4-3-5-8-13)22-17(23)12-21-18(24)16-11-14(19)9-10-20-16/h3-5,7-11,15H,2,6,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyJCBPSVYNQAFLOX-UHFFFAOYSA-N
XLogP3.12
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide
CID 9427363
(2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid
CID 107563826
4-chloro-N-[2-oxo-2-(phenylmethoxyamino)ethyl]pyridine-2-carboxamide
CID 9227627
4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538436
4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide
CID 9225392
4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9039107
4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068732
4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 9396568
4-chloro-N-[2-(naphthalen-2-ylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068575
4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 86990770
2-bromo-4-chloro-N-(1-phenylbutyl)benzamide
CID 107988137
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide (CID 18115585) is 4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide is CCCC(NC(=O)CNC(=O)c1cc(Cl)ccn1)c1ccccc1.
What is the InChIKey of 4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is JCBPSVYNQAFLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-2-6-15(13-7-4-3-5-8-13)22-17(23)12-21-18(24)16-11-14(19)9-10-20-16/h3-5,7-11,15H,2,6,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide?
4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 18115585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).