5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile

C16H17N5 — CID 133291105

IUPAC5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCC2CCN(c3ccccc3)C2)cn1
InChIInChI=1S/C16H17N5/c17-8-14-10-20-16(11-18-14)19-9-13-6-7-21(12-13)15-4-2-1-3-5-15/h1-5,10-11,13H,6-7,9,12H2,(H,19,20)
InChIKeyIINIISXXYJLMJK-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.29
Rot. Bonds4

About 5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile

5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile (PubChem CID 133291105) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile
PubChem CID133291105
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCC2CCN(c3ccccc3)C2)cn1
InChIInChI=1S/C16H17N5/c17-8-14-10-20-16(11-18-14)19-9-13-6-7-21(12-13)15-4-2-1-3-5-15/h1-5,10-11,13H,6-7,9,12H2,(H,19,20)
InChIKeyIINIISXXYJLMJK-UHFFFAOYSA-N
XLogP2.29
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 36833284
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine
CID 97312348
6-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95290155
5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 107413331
5-[[1-[4-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]phenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101829
2-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile
CID 125142211
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 113321436
1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile
CID 36833360
5-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methylamino]pyrazine-2-carboxylic acid
CID 122054293
4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268074
6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile
CID 62406600

Frequently Asked Questions

What is the IUPAC name of 5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile (CID 133291105) is 5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile is N#Cc1cnc(NCC2CCN(c3ccccc3)C2)cn1.
What is the InChIKey of 5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is IINIISXXYJLMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c17-8-14-10-20-16(11-18-14)19-9-13-6-7-21(12-13)15-4-2-1-3-5-15/h1-5,10-11,13H,6-7,9,12H2,(H,19,20).
What are the key properties of 5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile?
5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 279.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133291105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).