N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide

C14H17N3O — CID 102779307

IUPACN-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)C1NCCC1C
InChIInChI=1S/C14H17N3O/c1-9-3-4-11(8-15)7-12(9)17-14(18)13-10(2)5-6-16-13/h3-4,7,10,13,16H,5-6H2,1-2H3,(H,17,18)
InChIKeyQDPVOGYHNOTWSI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.80
Rot. Bonds2

About N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide

N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102779307) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102779307
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)C1NCCC1C
InChIInChI=1S/C14H17N3O/c1-9-3-4-11(8-15)7-12(9)17-14(18)13-10(2)5-6-16-13/h3-4,7,10,13,16H,5-6H2,1-2H3,(H,17,18)
InChIKeyQDPVOGYHNOTWSI-UHFFFAOYSA-N
XLogP1.80
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777565
N-(4-cyano-2-nitrophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779515
methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
CID 102777692
(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide
CID 81139836
N-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114428897
N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 114257371
3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 102779438
3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 102777906
N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777919
N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107436239
3-methyl-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 102779456
5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102778964

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide (CID 102779307) is N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide is Cc1ccc(C#N)cc1NC(=O)C1NCCC1C.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is QDPVOGYHNOTWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-3-4-11(8-15)7-12(9)17-14(18)13-10(2)5-6-16-13/h3-4,7,10,13,16H,5-6H2,1-2H3,(H,17,18).
What are the key properties of N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide?
N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).