N-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide

C18H20ClN3O2 — CID 75372727

IUPACN-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide
SMILESCC(C)(NC(=O)CCNC(=O)c1ccncc1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-18(2,14-4-3-5-15(19)12-14)22-16(23)8-11-21-17(24)13-6-9-20-10-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyNCCSCBNDZHBZPD-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.91
Rot. Bonds6

About N-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide

N-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide (PubChem CID 75372727) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide
PubChem CID75372727
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide
SMILESCC(C)(NC(=O)CCNC(=O)c1ccncc1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-18(2,14-4-3-5-15(19)12-14)22-16(23)8-11-21-17(24)13-6-9-20-10-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyNCCSCBNDZHBZPD-UHFFFAOYSA-N
XLogP2.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 120563069
N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 110445853
N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide
CID 110443744
2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide
CID 75372511
2-(pyridine-4-carbonylamino)ethyl 3-(3-chlorophenyl)propanoate
CID 52708800
N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 68891384
4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide
CID 7900650
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118326
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725998
1-[2-(3-chlorophenyl)propan-2-yl]-3-prop-2-enylurea
CID 110490627
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725997
N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 110790543

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide (CID 75372727) is N-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide is CC(C)(NC(=O)CCNC(=O)c1ccncc1)c1cccc(Cl)c1.
What is the InChIKey of N-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide?
The InChIKey is NCCSCBNDZHBZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-18(2,14-4-3-5-15(19)12-14)22-16(23)8-11-21-17(24)13-6-9-20-10-7-13/h3-7,9-10,12H,8,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide?
N-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide is sourced from PubChem (CID 75372727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).