N-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide

C18H19ClN6O — CID 175649352

IUPACN-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3ccncn3)CC2)c(C#N)c(C)c1Cl
InChIInChI=1S/C18H19ClN6O/c1-11-14(9-20)17(23-12(2)16(11)19)25-7-4-13(5-8-25)24-18(26)15-3-6-21-10-22-15/h3,6,10,13H,4-5,7-8H2,1-2H3,(H,24,26)
InChIKeyFKZHZFKHUICAMP-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.41
Rot. Bonds3

About N-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide

N-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide (PubChem CID 175649352) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide
PubChem CID175649352
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC NameN-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide
SMILESCc1nc(N2CCC(NC(=O)c3ccncn3)CC2)c(C#N)c(C)c1Cl
InChIInChI=1S/C18H19ClN6O/c1-11-14(9-20)17(23-12(2)16(11)19)25-7-4-13(5-8-25)24-18(26)15-3-6-21-10-22-15/h3,6,10,13H,4-5,7-8H2,1-2H3,(H,24,26)
InChIKeyFKZHZFKHUICAMP-UHFFFAOYSA-N
XLogP2.41
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175648747
N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175649144
N-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175650848
N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175648871
N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 107058314
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide
CID 175649289
N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47089496
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993643
5-chloro-4,6-dimethyl-2-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 172902318
N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175650980
(2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129489772
N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175650599

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide (CID 175649352) is N-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide is Cc1nc(N2CCC(NC(=O)c3ccncn3)CC2)c(C#N)c(C)c1Cl.
What is the InChIKey of N-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide?
The InChIKey is FKZHZFKHUICAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-11-14(9-20)17(23-12(2)16(11)19)25-7-4-13(5-8-25)24-18(26)15-3-6-21-10-22-15/h3,6,10,13H,4-5,7-8H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide?
N-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 175649352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).