N,N-dimethyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide

C18H23N5O — CID 48930649

IUPACN,N-dimethyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)N(C)C)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H23N5O/c1-13-12-16(21-17(20-13)14-4-8-19-9-5-14)23-10-6-15(7-11-23)18(24)22(2)3/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3
InChIKeyGRHZITSRRJSISA-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.15
Rot. Bonds3

About N,N-dimethyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide

N,N-dimethyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 48930649) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N,N-dimethyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID48930649
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN,N-dimethyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)N(C)C)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H23N5O/c1-13-12-16(21-17(20-13)14-4-8-19-9-5-14)23-10-6-15(7-11-23)18(24)22(2)3/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3
InChIKeyGRHZITSRRJSISA-UHFFFAOYSA-N
XLogP2.15
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide (CID 48930649) is N,N-dimethyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)N(C)C)CC2)nc(-c2ccncc2)n1.
What is the InChIKey of N,N-dimethyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is GRHZITSRRJSISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-12-16(21-17(20-13)14-4-8-19-9-5-14)23-10-6-15(7-11-23)18(24)22(2)3/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide?
N,N-dimethyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 48930649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).