N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide

C17H20ClN3O — CID 110278637

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide
SMILESCN(C)CCC(NC(=O)c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O/c1-21(2)12-9-16(13-3-5-15(18)6-4-13)20-17(22)14-7-10-19-11-8-14/h3-8,10-11,16H,9,12H2,1-2H3,(H,20,22)
InChIKeyDVYAPMAWIOTWRN-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.16
Rot. Bonds6

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide (PubChem CID 110278637) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide
PubChem CID110278637
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide
SMILESCN(C)CCC(NC(=O)c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O/c1-21(2)12-9-16(13-3-5-15(18)6-4-13)20-17(22)14-7-10-19-11-8-14/h3-8,10-11,16H,9,12H2,1-2H3,(H,20,22)
InChIKeyDVYAPMAWIOTWRN-UHFFFAOYSA-N
XLogP3.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylbenzamide
CID 24953415
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278648
4-(4-chlorophenyl)-N-[3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride
CID 45481577
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxybenzamide
CID 110278628
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(tetrazol-1-yl)benzamide
CID 110278520
N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide
CID 24953762
N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 24954832
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide
CID 110278622
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethylbenzamide
CID 110281892
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 110281662
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(4-methoxyphenyl)acetamide
CID 15983443

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide (CID 110278637) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide is CN(C)CCC(NC(=O)c1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide?
The InChIKey is DVYAPMAWIOTWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-21(2)12-9-16(13-3-5-15(18)6-4-13)20-17(22)14-7-10-19-11-8-14/h3-8,10-11,16H,9,12H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 110278637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).