N-[1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

C27H24ClFN6O — CID 67266924

IUPACN-[1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCc1nc(-c2ccccn2)nc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c1Cl
InChIInChI=1S/C27H24ClFN6O/c1-17-24(28)26(34-25(32-17)23-7-2-3-12-30-23)35-13-10-21(11-14-35)33-27(36)19-8-9-22(31-16-19)18-5-4-6-20(29)15-18/h2-9,12,15-16,21H,10-11,13-14H2,1H3,(H,33,36)
InChIKeyPEAZRZSWCCUCFF-UHFFFAOYSA-N
MW502.98 g/mol
LogP5.10
Rot. Bonds5

About N-[1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

N-[1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 67266924) has the molecular formula C27H24ClFN6O and a molecular weight of 502.98 g/mol. Its IUPAC name is N-[1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID67266924
Molecular FormulaC27H24ClFN6O
Molecular Weight502.98 g/mol
Exact Mass502.17
IUPAC NameN-[1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCc1nc(-c2ccccn2)nc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c1Cl
InChIInChI=1S/C27H24ClFN6O/c1-17-24(28)26(34-25(32-17)23-7-2-3-12-30-23)35-13-10-21(11-14-35)33-27(36)19-8-9-22(31-16-19)18-5-4-6-20(29)15-18/h2-9,12,15-16,21H,10-11,13-14H2,1H3,(H,33,36)
InChIKeyPEAZRZSWCCUCFF-UHFFFAOYSA-N
XLogP5.10
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.98
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 67266924) is N-[1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is Cc1nc(-c2ccccn2)nc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c1Cl.
What is the InChIKey of N-[1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is PEAZRZSWCCUCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN6O/c1-17-24(28)26(34-25(32-17)23-7-2-3-12-30-23)35-13-10-21(11-14-35)33-27(36)19-8-9-22(31-16-19)18-5-4-6-20(29)15-18/h2-9,12,15-16,21H,10-11,13-14H2,1H3,(H,33,36).
What are the key properties of N-[1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
N-[1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 502.98 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67266924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).