5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide

C30H29N5O4 — CID 167075757

IUPAC5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide
SMILESCN(CC(=O)N1CC(C(=O)Nc2ccccc2)CC1C#N)C(=O)c1ccc(OC2CC2)c(-c2cccnc2)c1
InChIInChI=1S/C30H29N5O4/c1-34(19-28(36)35-18-22(14-24(35)16-31)29(37)33-23-7-3-2-4-8-23)30(38)20-9-12-27(39-25-10-11-25)26(15-20)21-6-5-13-32-17-21/h2-9,12-13,15,17,22,24-25H,10-11,14,18-19H2,1H3,(H,33,37)
InChIKeySDOAMHPGFBKPMU-UHFFFAOYSA-N
MW523.59 g/mol
LogP3.74
Rot. Bonds8

About 5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide

5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide (PubChem CID 167075757) has the molecular formula C30H29N5O4 and a molecular weight of 523.59 g/mol. Its IUPAC name is 5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide
PubChem CID167075757
Molecular FormulaC30H29N5O4
Molecular Weight523.59 g/mol
Exact Mass523.22
IUPAC Name5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide
SMILESCN(CC(=O)N1CC(C(=O)Nc2ccccc2)CC1C#N)C(=O)c1ccc(OC2CC2)c(-c2cccnc2)c1
InChIInChI=1S/C30H29N5O4/c1-34(19-28(36)35-18-22(14-24(35)16-31)29(37)33-23-7-3-2-4-8-23)30(38)20-9-12-27(39-25-10-11-25)26(15-20)21-6-5-13-32-17-21/h2-9,12-13,15,17,22,24-25H,10-11,14,18-19H2,1H3,(H,33,37)
InChIKeySDOAMHPGFBKPMU-UHFFFAOYSA-N
XLogP3.74
TPSA115.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.59
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-N,1-dimethylindazole-6-carboxamide
CID 163372830
(5S)-1-[2-[(4-chlorobenzoyl)-methylamino]acetyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide
CID 167075561
5-cyano-1-[2-[methyl-[(E)-3-phenylprop-2-enoyl]amino]acetyl]-N-phenylpyrrolidine-3-carboxamide
CID 163372804
N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
CID 167075428
N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 163372903
1-[2-[[4-amino-3-methoxy-5-[(1-methylcyclopropyl)iminomethyl]benzoyl]-methylamino]acetyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide;2-methylpropane
CID 163373290
1-[2-[[3-amino-2-(tert-butyliminomethyl)prop-2-enoyl]-methylamino]acetyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide
CID 174008983
1-[2-[(2-chloro-5-phenylbenzoyl)-methylamino]acetyl]-5-cyano-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 167074985
N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide
CID 166487922
5-cyano-1-[2-[1-(4,6-dichloro-1H-indol-2-yl)ethenyl-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide
CID 167075309
5-cyano-1-(3-oxopropanoyl)-N-phenylpyrrolidine-3-carboxamide
CID 166487898
benzyl N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-N-propan-2-ylcarbamate
CID 167075310

Frequently Asked Questions

What is the IUPAC name of 5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide (CID 167075757) is 5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide is CN(CC(=O)N1CC(C(=O)Nc2ccccc2)CC1C#N)C(=O)c1ccc(OC2CC2)c(-c2cccnc2)c1.
What is the InChIKey of 5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is SDOAMHPGFBKPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O4/c1-34(19-28(36)35-18-22(14-24(35)16-31)29(37)33-23-7-3-2-4-8-23)30(38)20-9-12-27(39-25-10-11-25)26(15-20)21-6-5-13-32-17-21/h2-9,12-13,15,17,22,24-25H,10-11,14,18-19H2,1H3,(H,33,37).
What are the key properties of 5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide?
5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 523.59 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-1-[2-[(4-cyclopropyloxy-3-pyridin-3-ylbenzoyl)-methylamino]acetyl]-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 167075757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).