(3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C16H19N5O2 — CID 34970341

IUPAC(3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cn1
InChIInChI=1S/C16H19N5O2/c1-23-14-6-5-13(10-19-14)20-15(22)12-4-2-9-21(11-12)16-17-7-3-8-18-16/h3,5-8,10,12H,2,4,9,11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyJASATTYFQAOTLR-GFCCVEGCSA-N
MW313.36 g/mol
LogP1.74
Rot. Bonds4

About (3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 34970341) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID34970341
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cn1
InChIInChI=1S/C16H19N5O2/c1-23-14-6-5-13(10-19-14)20-15(22)12-4-2-9-21(11-12)16-17-7-3-8-18-16/h3,5-8,10,12H,2,4,9,11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyJASATTYFQAOTLR-GFCCVEGCSA-N
XLogP1.74
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36981777
(3R)-N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452473
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-(4-fluoro-2-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47024487
N-(3-bromo-4-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134053965
(3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7206249
(3R)-N-(3,5-dimethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085904
(3S)-N-(3,5-dimethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085905
1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide
CID 55787560
N-(3-acetamido-4-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47023979
1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 53106979
(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51686412

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 34970341) is (3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cn1.
What is the InChIKey of (3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is JASATTYFQAOTLR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-23-14-6-5-13(10-19-14)20-15(22)12-4-2-9-21(11-12)16-17-7-3-8-18-16/h3,5-8,10,12H,2,4,9,11H2,1H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 34970341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).