(3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide

C15H16N6O — CID 118981155

IUPAC(3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide
SMILESCc1cccc(-n2cnc(NC(=O)[C@H]3CCN(C#N)C3)c2)n1
InChIInChI=1S/C15H16N6O/c1-11-3-2-4-14(18-11)21-8-13(17-10-21)19-15(22)12-5-6-20(7-12)9-16/h2-4,8,10,12H,5-7H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyVLRMLNNUVDBJFH-LBPRGKRZSA-N
MW296.33 g/mol
LogP1.32
Rot. Bonds3

About (3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide

(3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide (PubChem CID 118981155) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is (3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide
PubChem CID118981155
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name(3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide
SMILESCc1cccc(-n2cnc(NC(=O)[C@H]3CCN(C#N)C3)c2)n1
InChIInChI=1S/C15H16N6O/c1-11-3-2-4-14(18-11)21-8-13(17-10-21)19-15(22)12-5-6-20(7-12)9-16/h2-4,8,10,12H,5-7H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyVLRMLNNUVDBJFH-LBPRGKRZSA-N
XLogP1.32
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-cyano-N-[1-(1H-indazol-6-yl)imidazol-4-yl]pyrrolidine-3-carboxamide
CID 118980679
N-(1-benzylimidazol-4-yl)-1-cyanopyrrolidine-3-carboxamide
CID 118981254
(3S)-1-cyano-N-[1-[4-cyano-3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrrolidine-3-carboxamide
CID 130364625
1-cyano-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 118980441
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
(3S)-1-cyano-N-[1-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]imidazol-4-yl]pyrrolidine-3-carboxamide
CID 130364554
(3S)-1-cyano-N-[1-(1,5-dimethylpiperidin-3-yl)imidazol-4-yl]pyrrolidine-3-carboxamide
CID 130383063
(3S)-1-cyano-N-[1-(1-methylpiperidin-3-yl)imidazol-4-yl]pyrrolidine-3-carboxamide;(3S)-1-cyano-N-[1-(1-methylpyrrolidin-3-yl)imidazol-4-yl]pyrrolidine-3-carboxamide
CID 161495808
1-cyano-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 118980507
1-cyano-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide
CID 118980499
1-cyano-N-[1-[2-cyano-5-[(3S)-oxolan-3-yl]oxyphenyl]imidazol-4-yl]pyrrolidine-3-carboxamide
CID 118980842
3-[[(3S)-1-cyanopyrrolidine-3-carbonyl]amino]isoquinoline-6-carboxamide
CID 118980660

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide (CID 118981155) is (3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide is Cc1cccc(-n2cnc(NC(=O)[C@H]3CCN(C#N)C3)c2)n1.
What is the InChIKey of (3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is VLRMLNNUVDBJFH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N6O/c1-11-3-2-4-14(18-11)21-8-13(17-10-21)19-15(22)12-5-6-20(7-12)9-16/h2-4,8,10,12H,5-7H2,1H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide?
(3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyano-N-[1-(6-methyl-2-pyridinyl)imidazol-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 118981155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).