N-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide

C25H24N6O — CID 91952524

IUPACN-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(N3CCCCC3)nc2-c2ccncc2)c2ccccc2n1
InChIInChI=1S/C25H24N6O/c1-17-15-22(19-7-3-4-8-21(19)28-17)29-24(32)20-16-27-25(31-13-5-2-6-14-31)30-23(20)18-9-11-26-12-10-18/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,28,29,32)
InChIKeyWZLDZIDECSZPJB-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.64
Rot. Bonds4

About N-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide

N-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 91952524) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is N-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID91952524
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC NameN-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(N3CCCCC3)nc2-c2ccncc2)c2ccccc2n1
InChIInChI=1S/C25H24N6O/c1-17-15-22(19-7-3-4-8-21(19)28-17)29-24(32)20-16-27-25(31-13-5-2-6-14-31)30-23(20)18-9-11-26-12-10-18/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,28,29,32)
InChIKeyWZLDZIDECSZPJB-UHFFFAOYSA-N
XLogP4.64
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-piperidin-1-yl-4-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)pyrimidine-5-carboxamide
CID 91952494
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952513
N-(2-methylquinolin-4-yl)azepane-1-carboxamide
CID 115882563
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide
CID 91969347
4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53336276
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide
CID 75526259
N-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 91952580
N-(4-hydroxyphenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504155
N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 66504382
N-(2-fluoro-5-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143528

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 91952524) is N-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide is Cc1cc(NC(=O)c2cnc(N3CCCCC3)nc2-c2ccncc2)c2ccccc2n1.
What is the InChIKey of N-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is WZLDZIDECSZPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-17-15-22(19-7-3-4-8-21(19)28-17)29-24(32)20-16-27-25(31-13-5-2-6-14-31)30-23(20)18-9-11-26-12-10-18/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,28,29,32).
What are the key properties of N-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide?
N-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-4-yl)-2-piperidin-1-yl-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 91952524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).