1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C18H24N6O — CID 53201087

IUPAC1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCN(C)c1ncncc1N1CCC(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C18H24N6O/c1-23(2)17-16(12-19-13-22-17)24-9-6-14(7-10-24)18(25)21-11-15-5-3-4-8-20-15/h3-5,8,12-14H,6-7,9-11H2,1-2H3,(H,21,25)
InChIKeyBYCGPQHWEDFGKT-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.47
Rot. Bonds5

About 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 53201087) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID53201087
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCN(C)c1ncncc1N1CCC(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C18H24N6O/c1-23(2)17-16(12-19-13-22-17)24-9-6-14(7-10-24)18(25)21-11-15-5-3-4-8-20-15/h3-5,8,12-14H,6-7,9-11H2,1-2H3,(H,21,25)
InChIKeyBYCGPQHWEDFGKT-UHFFFAOYSA-N
XLogP1.47
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 53201087) is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is CN(C)c1ncncc1N1CCC(C(=O)NCc2ccccn2)CC1.
What is the InChIKey of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is BYCGPQHWEDFGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-23(2)17-16(12-19-13-22-17)24-9-6-14(7-10-24)18(25)21-11-15-5-3-4-8-20-15/h3-5,8,12-14H,6-7,9-11H2,1-2H3,(H,21,25).
What are the key properties of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53201087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).