2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide

C19H23N3O2 — CID 97066119

IUPAC2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C19H23N3O2/c1-14-17(9-11-20-14)19(24)21-16-10-12-22(13-16)18(23)8-7-15-5-3-2-4-6-15/h2-6,9,11,16,20H,7-8,10,12-13H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyGDJBPJWZNRYXTN-INIZCTEOSA-N
MW325.41 g/mol
LogP2.29
Rot. Bonds5

About 2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide

2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide (PubChem CID 97066119) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
PubChem CID97066119
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C19H23N3O2/c1-14-17(9-11-20-14)19(24)21-16-10-12-22(13-16)18(23)8-7-15-5-3-2-4-6-15/h2-6,9,11,16,20H,7-8,10,12-13H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyGDJBPJWZNRYXTN-INIZCTEOSA-N
XLogP2.29
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
3-fluoro-4-[[1-(3-phenylpropanoyl)pyrrolidin-3-yl]carbamoyl]benzoic acid
CID 120551121
2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 119339216
N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554058
(2S,4S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide
CID 120637262
1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 84596884
7-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]heptanamide
CID 119810962
3-methyl-1-[[1-(3-phenylpropanoyl)pyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122006185
3-ethyl-2,4-dioxo-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-quinazoline-7-carboxamide
CID 166216984
(2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide
CID 120936054
2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide
CID 86782613
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide (CID 97066119) is 2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of 2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is GDJBPJWZNRYXTN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-17(9-11-20-14)19(24)21-16-10-12-22(13-16)18(23)8-7-15-5-3-2-4-6-15/h2-6,9,11,16,20H,7-8,10,12-13H2,1H3,(H,21,24)/t16-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide?
2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 97066119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).