2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide

C15H17N3O2 — CID 168521757

IUPAC2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1cc(C(=O)N2CCCC2)ccc1NC(=O)CC#N
InChIInChI=1S/C15H17N3O2/c1-11-10-12(15(20)18-8-2-3-9-18)4-5-13(11)17-14(19)6-7-16/h4-5,10H,2-3,6,8-9H2,1H3,(H,17,19)
InChIKeyILOOZJDVQHFJJU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.08
Rot. Bonds3

About 2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 168521757) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID168521757
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1cc(C(=O)N2CCCC2)ccc1NC(=O)CC#N
InChIInChI=1S/C15H17N3O2/c1-11-10-12(15(20)18-8-2-3-9-18)4-5-13(11)17-14(19)6-7-16/h4-5,10H,2-3,6,8-9H2,1H3,(H,17,19)
InChIKeyILOOZJDVQHFJJU-UHFFFAOYSA-N
XLogP2.08
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide
CID 131936206
2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521727
azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
CID 63209492
ethyl 4-[(2-cyanoacetyl)amino]-3-methylbenzoate
CID 83303062
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119759904
3-(2-methylpyrazol-3-yl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 131890072
1-(azocan-1-yl)-2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]ethanone
CID 71934936
4-[(2-cyanoacetyl)amino]-3-methylbenzenesulfonic acid
CID 168524082
2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119761416
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119759921
2-cyano-N-(2,3,4-trimethylphenyl)acetamide
CID 115172937
4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049129

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 168521757) is 2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide is Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is ILOOZJDVQHFJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-10-12(15(20)18-8-2-3-9-18)4-5-13(11)17-14(19)6-7-16/h4-5,10H,2-3,6,8-9H2,1H3,(H,17,19).
What are the key properties of 2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 271.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 168521757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).