N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide

C20H32N4O2 — CID 72844470

IUPACN-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccn2C)CN1C1CCCC1
InChIInChI=1S/C20H32N4O2/c1-4-23(5-2)20(26)18-13-15(14-24(18)16-9-6-7-10-16)21-19(25)17-11-8-12-22(17)3/h8,11-12,15-16,18H,4-7,9-10,13-14H2,1-3H3,(H,21,25)/t15-,18+/m1/s1
InChIKeyNVHRNQJOOWZVLC-QAPCUYQASA-N
MW360.50 g/mol
LogP2.01
Rot. Bonds6

About N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide

N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 72844470) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
PubChem CID72844470
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccn2C)CN1C1CCCC1
InChIInChI=1S/C20H32N4O2/c1-4-23(5-2)20(26)18-13-15(14-24(18)16-9-6-7-10-16)21-19(25)17-11-8-12-22(17)3/h8,11-12,15-16,18H,4-7,9-10,13-14H2,1-3H3,(H,21,25)/t15-,18+/m1/s1
InChIKeyNVHRNQJOOWZVLC-QAPCUYQASA-N
XLogP2.01
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,5S)-1-(cyclobutanecarbonyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 72924058
N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 72937755
N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 72870987
(2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 72840620
(2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide
CID 72852321
(2S,4S)-N,N-diethyl-1-(oxan-4-yl)-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide
CID 72883740
N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 156605980
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 72874926
(2S,4S)-1-[(1S,2R)-2-[(2S,4S)-2-carboxylato-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrolidine-1-carbonyl]cyclohexanecarbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate
CID 11882292
(2S,4S)-1-[(1R,2S)-2-[(2S,4S)-2-carboxylato-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrolidine-1-carbonyl]cyclohexanecarbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate
CID 11882298
(2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide
CID 28634521
(2S,4S)-1-[(1S,2S)-2-[(2S,4S)-2-carboxylato-4-(thiophene-2-carbonylamino)pyrrolidine-1-carbonyl]cyclohexanecarbonyl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrolidine-2-carboxylate
CID 11882358

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide (CID 72844470) is N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccn2C)CN1C1CCCC1.
What is the InChIKey of N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide?
The InChIKey is NVHRNQJOOWZVLC-QAPCUYQASA-N. The full InChI is InChI=1S/C20H32N4O2/c1-4-23(5-2)20(26)18-13-15(14-24(18)16-9-6-7-10-16)21-19(25)17-11-8-12-22(17)3/h8,11-12,15-16,18H,4-7,9-10,13-14H2,1-3H3,(H,21,25)/t15-,18+/m1/s1.
What are the key properties of N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide?
N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 72844470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).