N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide

C20H25N3O3 — CID 86982588

IUPACN-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)N2CCCC2C(=O)NC2CC2)c1
InChIInChI=1S/C20H25N3O3/c1-12-10-16(12)18(24)22-15-5-2-4-13(11-15)20(26)23-9-3-6-17(23)19(25)21-14-7-8-14/h2,4-5,11-12,14,16-17H,3,6-10H2,1H3,(H,21,25)(H,22,24)
InChIKeySYPLIESZQZMJGT-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.16
Rot. Bonds5

About N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide (PubChem CID 86982588) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide
PubChem CID86982588
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)N2CCCC2C(=O)NC2CC2)c1
InChIInChI=1S/C20H25N3O3/c1-12-10-16(12)18(24)22-15-5-2-4-13(11-15)20(26)23-9-3-6-17(23)19(25)21-14-7-8-14/h2,4-5,11-12,14,16-17H,3,6-10H2,1H3,(H,21,25)(H,22,24)
InChIKeySYPLIESZQZMJGT-UHFFFAOYSA-N
XLogP2.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide
CID 47158356
(2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92895034
(2R)-N-cyclohexyl-1-[3-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92728157
(2R)-N-cyclopentyl-1-[3-(thiophene-3-carbonylamino)benzoyl]pyrrolidine-2-carboxamide
CID 92895030
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916
2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119562707
N-(4-hydroxycyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 110888559
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
N-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 134800399
1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55966477
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide (CID 86982588) is N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide is CC1CC1C(=O)Nc1cccc(C(=O)N2CCCC2C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is SYPLIESZQZMJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-12-10-16(12)18(24)22-15-5-2-4-13(11-15)20(26)23-9-3-6-17(23)19(25)21-14-7-8-14/h2,4-5,11-12,14,16-17H,3,6-10H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86982588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).