N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

C20H19ClN6O — CID 109160648

IUPACN-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C20H19ClN6O/c21-16-4-1-2-5-17(16)25-19(28)15-6-7-18(24-14-15)26-10-12-27(13-11-26)20-22-8-3-9-23-20/h1-9,14H,10-13H2,(H,25,28)
InChIKeyOOLDMLXRSGQZPM-UHFFFAOYSA-N
MW394.87 g/mol
LogP3.10
Rot. Bonds4

About N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109160648) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109160648
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC NameN-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C20H19ClN6O/c21-16-4-1-2-5-17(16)25-19(28)15-6-7-18(24-14-15)26-10-12-27(13-11-26)20-22-8-3-9-23-20/h1-9,14H,10-13H2,(H,25,28)
InChIKeyOOLDMLXRSGQZPM-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-ethylphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160643
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160656
N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109238742
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253915
N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154974
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109262320
6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide
CID 109155174
N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159582
N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160574
N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24587396
N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159593
N-(2,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152594

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (CID 109160648) is N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is O=C(Nc1ccccc1Cl)c1ccc(N2CCN(c3ncccn3)CC2)nc1.
What is the InChIKey of N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is OOLDMLXRSGQZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c21-16-4-1-2-5-17(16)25-19(28)15-6-7-18(24-14-15)26-10-12-27(13-11-26)20-22-8-3-9-23-20/h1-9,14H,10-13H2,(H,25,28).
What are the key properties of N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
N-(2-chlorophenyl)-6-(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)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109160648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).