4-(3-chloro-2-pyridinyl)-N-naphthalen-2-ylpiperazine-1-carboxamide

C20H19ClN4O — CID 21037620

IUPAC4-(3-chloro-2-pyridinyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C20H19ClN4O/c21-18-6-3-9-22-19(18)24-10-12-25(13-11-24)20(26)23-17-8-7-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2,(H,23,26)
InChIKeyZMABZYFTPAMERF-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.24
Rot. Bonds2

About 4-(3-chloro-2-pyridinyl)-N-naphthalen-2-ylpiperazine-1-carboxamide

4-(3-chloro-2-pyridinyl)-N-naphthalen-2-ylpiperazine-1-carboxamide (PubChem CID 21037620) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-naphthalen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
PubChem CID21037620
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name4-(3-chloro-2-pyridinyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C20H19ClN4O/c21-18-6-3-9-22-19(18)24-10-12-25(13-11-24)20(26)23-17-8-7-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2,(H,23,26)
InChIKeyZMABZYFTPAMERF-UHFFFAOYSA-N
XLogP4.24
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891
1-(2-Chlorophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 16023499
1-[4-[(4-Ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)-3-pyridinyl]phenyl]urea
CID 145976371
n-(2-Chlorophenyl)-4-(pyridin-2-yl)piperazine-1-carboxamide
CID 752316
N-naphthalen-1-yl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide
CID 2741633
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 9946897
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-tert-butyl-cyclohexyl)-amide
CID 10045247
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-sec-butyl-phenyl)-amide
CID 10126339
4-(3-Methyl-pyridin-2-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 10268755
4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 10694111

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-naphthalen-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-naphthalen-2-ylpiperazine-1-carboxamide (CID 21037620) is 4-(3-chloro-2-pyridinyl)-N-naphthalen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-naphthalen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-naphthalen-2-ylpiperazine-1-carboxamide is O=C(Nc1ccc2ccccc2c1)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-naphthalen-2-ylpiperazine-1-carboxamide?
The InChIKey is ZMABZYFTPAMERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-18-6-3-9-22-19(18)24-10-12-25(13-11-24)20(26)23-17-8-7-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2,(H,23,26).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-naphthalen-2-ylpiperazine-1-carboxamide?
4-(3-chloro-2-pyridinyl)-N-naphthalen-2-ylpiperazine-1-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-naphthalen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 21037620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).