N-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C19H18N4O2 — CID 71987288

IUPACN-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CCC2C(=O)Nc2ccc(C#N)cn2)cc1
InChIInChI=1S/C19H18N4O2/c1-13-2-4-14(5-3-13)12-23-16(7-9-18(23)24)19(25)22-17-8-6-15(10-20)11-21-17/h2-6,8,11,16H,7,9,12H2,1H3,(H,21,22,25)
InChIKeyLBNNGFYPWXBXEK-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.39
Rot. Bonds4

About N-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 71987288) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID71987288
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CCC2C(=O)Nc2ccc(C#N)cn2)cc1
InChIInChI=1S/C19H18N4O2/c1-13-2-4-14(5-3-13)12-23-16(7-9-18(23)24)19(25)22-17-8-6-15(10-20)11-21-17/h2-6,8,11,16H,7,9,12H2,1H3,(H,21,22,25)
InChIKeyLBNNGFYPWXBXEK-UHFFFAOYSA-N
XLogP2.39
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 71995121
1-[(4-cyanophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 19957318
N-(5-cyano-2-pyridinyl)-2-[[1-[(4-hydroxyphenyl)methyl]-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]sulfanyl]acetamide
CID 58869950
(2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 124514063
(2S)-2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 119238214
N-[2-(ethylamino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119507676
cis-(1S,3R)-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676508
N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 126784134
N-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide
CID 50970346
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid
CID 119168765
2-[4-[[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698405

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 71987288) is N-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is Cc1ccc(CN2C(=O)CCC2C(=O)Nc2ccc(C#N)cn2)cc1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LBNNGFYPWXBXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-2-4-14(5-3-13)12-23-16(7-9-18(23)24)19(25)22-17-8-6-15(10-20)11-21-17/h2-6,8,11,16H,7,9,12H2,1H3,(H,21,22,25).
What are the key properties of N-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 71987288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).