N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide

C14H17N3O — CID 63715120

IUPACN-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O/c1-10-7-16-9-13(10)14(18)17-8-12-4-2-11(6-15)3-5-12/h2-5,10,13,16H,7-9H2,1H3,(H,17,18)
InChIKeyJRSLFSFWIWADLO-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.03
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide

N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 63715120) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID63715120
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O/c1-10-7-16-9-13(10)14(18)17-8-12-4-2-11(6-15)3-5-12/h2-5,10,13,16H,7-9H2,1H3,(H,17,18)
InChIKeyJRSLFSFWIWADLO-UHFFFAOYSA-N
XLogP1.03
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyanophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54936404
N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 63715441
(3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961395
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide
CID 18670937
N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 113319928
3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 175163144
(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 15391796
N-(4-cyano-2-nitrophenyl)-4-methylpyrrolidine-3-carboxamide
CID 78965474
N-[(4-cyanophenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 61215075
3-[(4-cyanophenyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835964
N-[(4-cyanophenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 162330438

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide (CID 63715120) is N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)NCc1ccc(C#N)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is JRSLFSFWIWADLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-7-16-9-13(10)14(18)17-8-12-4-2-11(6-15)3-5-12/h2-5,10,13,16H,7-9H2,1H3,(H,17,18).
What are the key properties of N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide?
N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63715120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).