N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

C20H19ClN6O — CID 109238742

IUPACN-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cncc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C20H19ClN6O/c21-17-4-1-2-5-18(17)25-19(28)15-12-16(14-22-13-15)26-8-10-27(11-9-26)20-23-6-3-7-24-20/h1-7,12-14H,8-11H2,(H,25,28)
InChIKeyPXXNWQCXRDIWFN-UHFFFAOYSA-N
MW394.87 g/mol
LogP3.10
Rot. Bonds4

About N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109238742) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109238742
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC NameN-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cncc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C20H19ClN6O/c21-17-4-1-2-5-18(17)25-19(28)15-12-16(14-22-13-15)26-8-10-27(11-9-26)20-23-6-3-7-24-20/h1-7,12-14H,8-11H2,(H,25,28)
InChIKeyPXXNWQCXRDIWFN-UHFFFAOYSA-N
XLogP3.10
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230953
N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230650
N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160648
N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109238727
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253915
N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225862
5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109241399
N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225181
5-N-(2-chlorophenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107777
5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109230694
N-(2-methylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228626
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109262320

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (CID 109238742) is N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is O=C(Nc1ccccc1Cl)c1cncc(N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is PXXNWQCXRDIWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c21-17-4-1-2-5-18(17)25-19(28)15-12-16(14-22-13-15)26-8-10-27(11-9-26)20-23-6-3-7-24-20/h1-7,12-14H,8-11H2,(H,25,28).
What are the key properties of N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 394.87 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109238742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).