N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide

C16H21N3O — CID 63138343

IUPACN-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(CCC#N)c2ccccc2)CCNC1
InChIInChI=1S/C16H21N3O/c1-2-16(9-11-18-13-16)15(20)19(12-6-10-17)14-7-4-3-5-8-14/h3-5,7-8,18H,2,6,9,11-13H2,1H3
InChIKeyBIZAPBRBDPVIPE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.32
Rot. Bonds5

About N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide

N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide (PubChem CID 63138343) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide
PubChem CID63138343
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(CCC#N)c2ccccc2)CCNC1
InChIInChI=1S/C16H21N3O/c1-2-16(9-11-18-13-16)15(20)19(12-6-10-17)14-7-4-3-5-8-14/h3-5,7-8,18H,2,6,9,11-13H2,1H3
InChIKeyBIZAPBRBDPVIPE-UHFFFAOYSA-N
XLogP2.32
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide
CID 63140580
N,N-bis(cyanomethyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140597
N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide
CID 63128833
N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63128126
3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide
CID 64891096
2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898
N-benzyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63138591
N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 63131514
N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide
CID 62679945
N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide
CID 79155764
3-ethyl-N-(3-fluorophenyl)-N-methylpyrrolidine-3-carboxamide
CID 63142338
2-(N-(3-methylpyrrolidine-3-carbonyl)anilino)acetic acid
CID 63141819

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide (CID 63138343) is N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide is CCC1(C(=O)N(CCC#N)c2ccccc2)CCNC1.
What is the InChIKey of N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is BIZAPBRBDPVIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-16(9-11-18-13-16)15(20)19(12-6-10-17)14-7-4-3-5-8-14/h3-5,7-8,18H,2,6,9,11-13H2,1H3.
What are the key properties of N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide?
N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63138343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).