(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

C16H19N5O2 — CID 36981777

IUPAC(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)cn1
InChIInChI=1S/C16H19N5O2/c1-23-15-5-4-13(9-19-15)20-16(22)12-3-2-8-21(11-12)14-10-17-6-7-18-14/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyKGKZWASVFJOUBH-LBPRGKRZSA-N
MW313.36 g/mol
LogP1.74
Rot. Bonds4

About (3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 36981777) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID36981777
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)cn1
InChIInChI=1S/C16H19N5O2/c1-23-15-5-4-13(9-19-15)20-16(22)12-3-2-8-21(11-12)14-10-17-6-7-18-14/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyKGKZWASVFJOUBH-LBPRGKRZSA-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

(3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 34970341
N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977
1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46573508
(3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36997778
(3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37165093
N-(3-methyl-4-pyridin-3-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 166280142
N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46573311
(3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632049
(3S)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632050
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42954768
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 36981777) is (3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is COc1ccc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)cn1.
What is the InChIKey of (3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is KGKZWASVFJOUBH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-23-15-5-4-13(9-19-15)20-16(22)12-3-2-8-21(11-12)14-10-17-6-7-18-14/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,20,22)/t12-/m0/s1.
What are the key properties of (3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-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 (3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 36981777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).