N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide

C15H19N3O — CID 54882625

IUPACN-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
SMILESCC1CCCN1CCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O/c1-12-3-2-9-18(12)10-8-15(19)17-14-6-4-13(11-16)5-7-14/h4-7,12H,2-3,8-10H2,1H3,(H,17,19)
InChIKeyHPKGIMJZZGPOQT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.37
Rot. Bonds4

About N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide

N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide (PubChem CID 54882625) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
PubChem CID54882625
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
SMILESCC1CCCN1CCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H19N3O/c1-12-3-2-9-18(12)10-8-15(19)17-14-6-4-13(11-16)5-7-14/h4-7,12H,2-3,8-10H2,1H3,(H,17,19)
InChIKeyHPKGIMJZZGPOQT-UHFFFAOYSA-N
XLogP2.37
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882030
N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 60973340
N-(3-cyanophenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 43187511
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
3-[(3R)-3-aminopiperidin-1-yl]-N-(4-cyanophenyl)propanamide
CID 102985639
N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43421973
N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43176776
N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243966
3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 79874391
N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246129
N-(4-cyanophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962066
1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 61372018

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide (CID 54882625) is N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide is CC1CCCN1CCC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide?
The InChIKey is HPKGIMJZZGPOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-3-2-9-18(12)10-8-15(19)17-14-6-4-13(11-16)5-7-14/h4-7,12H,2-3,8-10H2,1H3,(H,17,19).
What are the key properties of N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide?
N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide has a molecular weight of 257.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 54882625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).