N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide

C16H18N4O — CID 35220191

IUPACN-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
SMILESO=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cnccn1
InChIInChI=1S/C16H18N4O/c21-16(15-11-17-7-8-18-15)19-10-13-6-9-20(12-13)14-4-2-1-3-5-14/h1-5,7-8,11,13H,6,9-10,12H2,(H,19,21)/t13-/m0/s1
InChIKeyDZHKFYINIPBSDD-ZDUSSCGKSA-N
MW282.35 g/mol
LogP1.73
Rot. Bonds4

About N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide

N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide (PubChem CID 35220191) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
PubChem CID35220191
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
SMILESO=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cnccn1
InChIInChI=1S/C16H18N4O/c21-16(15-11-17-7-8-18-15)19-10-13-6-9-20(12-13)14-4-2-1-3-5-14/h1-5,7-8,11,13H,6,9-10,12H2,(H,19,21)/t13-/m0/s1
InChIKeyDZHKFYINIPBSDD-ZDUSSCGKSA-N
XLogP1.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 122136877
4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129
1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide
CID 43071245
N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 131927095
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
CID 38442945
6-(dimethylamino)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 38441786
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide
CID 47055371
6-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylpyridazine-3-carboxamide
CID 43065015

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide (CID 35220191) is N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide is O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cnccn1.
What is the InChIKey of N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is DZHKFYINIPBSDD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(15-11-17-7-8-18-15)19-10-13-6-9-20(12-13)14-4-2-1-3-5-14/h1-5,7-8,11,13H,6,9-10,12H2,(H,19,21)/t13-/m0/s1.
What are the key properties of N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide?
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 35220191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).