(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

C19H25N5O — CID 96558079

IUPAC(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCC[C@H](C(=O)NCCc3ccccn3)C2)n1
InChIInChI=1S/C19H25N5O/c1-14-12-15(2)23-19(22-14)24-11-5-6-16(13-24)18(25)21-10-8-17-7-3-4-9-20-17/h3-4,7,9,12,16H,5-6,8,10-11,13H2,1-2H3,(H,21,25)/t16-/m0/s1
InChIKeyOMQODOLUYWNCPU-INIZCTEOSA-N
MW339.44 g/mol
LogP2.06
Rot. Bonds5

About (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (PubChem CID 96558079) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
PubChem CID96558079
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCC[C@H](C(=O)NCCc3ccccn3)C2)n1
InChIInChI=1S/C19H25N5O/c1-14-12-15(2)23-19(22-14)24-11-5-6-16(13-24)18(25)21-10-8-17-7-3-4-9-20-17/h3-4,7,9,12,16H,5-6,8,10-11,13H2,1-2H3,(H,21,25)/t16-/m0/s1
InChIKeyOMQODOLUYWNCPU-INIZCTEOSA-N
XLogP2.06
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 96557748
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 96557410
(3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96580711
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 6557857
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96558140
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-3-carboxamide
CID 96557373
N-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 75489517
1-N-phenyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 51250780

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (CID 96558079) is (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is Cc1cc(C)nc(N2CCC[C@H](C(=O)NCCc3ccccn3)C2)n1.
What is the InChIKey of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is OMQODOLUYWNCPU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-12-15(2)23-19(22-14)24-11-5-6-16(13-24)18(25)21-10-8-17-7-3-4-9-20-17/h3-4,7,9,12,16H,5-6,8,10-11,13H2,1-2H3,(H,21,25)/t16-/m0/s1.
What are the key properties of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 96558079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).