4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide

C18H19N5O2 — CID 129476468

IUPAC4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
SMILESCc1cc(C#N)ccc1C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C18H19N5O2/c1-12-9-13(10-19)4-5-15(12)17(24)22-14-3-2-8-23(11-14)16-18(25)21-7-6-20-16/h4-7,9,14H,2-3,8,11H2,1H3,(H,21,25)(H,22,24)/t14-/m1/s1
InChIKeyQDYAIKOADSOVDU-CQSZACIVSA-N
MW337.38 g/mol
LogP1.35
Rot. Bonds3

About 4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide

4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide (PubChem CID 129476468) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
PubChem CID129476468
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
SMILESCc1cc(C#N)ccc1C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C18H19N5O2/c1-12-9-13(10-19)4-5-15(12)17(24)22-14-3-2-8-23(11-14)16-18(25)21-7-6-20-16/h4-7,9,14H,2-3,8,11H2,1H3,(H,21,25)(H,22,24)/t14-/m1/s1
InChIKeyQDYAIKOADSOVDU-CQSZACIVSA-N
XLogP1.35
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,2-thiazole-4-carboxamide
CID 129476907
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 129476538
2-(dimethylamino)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]pyridine-4-carboxamide
CID 129477071
4-(methoxymethyl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
CID 129476714
N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 129476803
5,6-dimethyl-2-oxo-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 127974631
3-amino-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 129476469
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiophene-3-carboxamide
CID 129475720
3-methyl-4-nitro-N-[1-(2-oxo-1H-pyrazin-3-yl)pyrrolidin-3-yl]benzamide
CID 138015009
5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 129473562
N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-indazole-3-carboxamide
CID 167764107
1-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-3-thiophen-3-ylurea
CID 128967383

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide?
The IUPAC name of 4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide (CID 129476468) is 4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide.
What is the SMILES notation for 4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide?
The canonical SMILES for 4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide is Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1.
What is the InChIKey of 4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide?
The InChIKey is QDYAIKOADSOVDU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-9-13(10-19)4-5-15(12)17(24)22-14-3-2-8-23(11-14)16-18(25)21-7-6-20-16/h4-7,9,14H,2-3,8,11H2,1H3,(H,21,25)(H,22,24)/t14-/m1/s1.
What are the key properties of 4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide?
4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide is sourced from PubChem (CID 129476468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).