(3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C18H24N6O — CID 92862538

IUPAC(3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H24N6O/c1-23(2)17-14(5-3-7-21-17)11-22-18(25)15-6-4-10-24(13-15)16-12-19-8-9-20-16/h3,5,7-9,12,15H,4,6,10-11,13H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyJEZBPDMJEIGHSW-HNNXBMFYSA-N
MW340.43 g/mol
LogP1.47
Rot. Bonds5

About (3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

(3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 92862538) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is (3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID92862538
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name(3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H24N6O/c1-23(2)17-14(5-3-7-21-17)11-22-18(25)15-6-4-10-24(13-15)16-12-19-8-9-20-16/h3,5,7-9,12,15H,4,6,10-11,13H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyJEZBPDMJEIGHSW-HNNXBMFYSA-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

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Related Compounds

N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 71942635
(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51948290
(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37400735
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 60515935
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55692806
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068386

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 92862538) is (3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is CN(C)c1ncccc1CNC(=O)[C@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is JEZBPDMJEIGHSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-23(2)17-14(5-3-7-21-17)11-22-18(25)15-6-4-10-24(13-15)16-12-19-8-9-20-16/h3,5,7-9,12,15H,4,6,10-11,13H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-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 (3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 92862538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).