6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide

C16H19N5O2 — CID 124855297

IUPAC6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
SMILESO=C(N[C@H]1CCCN(Cc2cccnc2)C1)c1c[nH]c(=O)cn1
InChIInChI=1S/C16H19N5O2/c22-15-9-18-14(8-19-15)16(23)20-13-4-2-6-21(11-13)10-12-3-1-5-17-7-12/h1,3,5,7-9,13H,2,4,6,10-11H2,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyYVZXAXYYIJRGKZ-ZDUSSCGKSA-N
MW313.36 g/mol
LogP0.56
Rot. Bonds4

About 6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide

6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide (PubChem CID 124855297) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
PubChem CID124855297
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
SMILESO=C(N[C@H]1CCCN(Cc2cccnc2)C1)c1c[nH]c(=O)cn1
InChIInChI=1S/C16H19N5O2/c22-15-9-18-14(8-19-15)16(23)20-13-4-2-6-21(11-13)10-12-3-1-5-17-7-12/h1,3,5,7-9,13H,2,4,6,10-11H2,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyYVZXAXYYIJRGKZ-ZDUSSCGKSA-N
XLogP0.56
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900155
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 125441300
1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 125173875
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125440680
3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide
CID 91778553
4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
CID 91788256
2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
CID 124758694
6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide
CID 146041492
2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124749391
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 125165036
1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide
CID 97133366
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 118794907

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide (CID 124855297) is 6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide is O=C(N[C@H]1CCCN(Cc2cccnc2)C1)c1c[nH]c(=O)cn1.
What is the InChIKey of 6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide?
The InChIKey is YVZXAXYYIJRGKZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-15-9-18-14(8-19-15)16(23)20-13-4-2-6-21(11-13)10-12-3-1-5-17-7-12/h1,3,5,7-9,13H,2,4,6,10-11H2,(H,19,22)(H,20,23)/t13-/m0/s1.
What are the key properties of 6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide?
6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 124855297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).