1-cyclopropyl-N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]pyrrole-2-carboxamide

C18H28N4O2 — CID 72853216

IUPAC1-cyclopropyl-N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]pyrrole-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccn2C2CC2)CN1C
InChIInChI=1S/C18H28N4O2/c1-4-21(5-2)18(24)16-11-13(12-20(16)3)19-17(23)15-7-6-10-22(15)14-8-9-14/h6-7,10,13-14,16H,4-5,8-9,11-12H2,1-3H3,(H,19,23)/t13-,16+/m1/s1
InChIKeyCUUJVEVEKQHVMN-CJNGLKHVSA-N
MW332.45 g/mol
LogP1.49
Rot. Bonds6

About 1-cyclopropyl-N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]pyrrole-2-carboxamide

1-cyclopropyl-N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]pyrrole-2-carboxamide (PubChem CID 72853216) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]pyrrole-2-carboxamide
PubChem CID72853216
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-cyclopropyl-N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]pyrrole-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccn2C2CC2)CN1C
InChIInChI=1S/C18H28N4O2/c1-4-21(5-2)18(24)16-11-13(12-20(16)3)19-17(23)15-7-6-10-22(15)14-8-9-14/h6-7,10,13-14,16H,4-5,8-9,11-12H2,1-3H3,(H,19,23)/t13-,16+/m1/s1
InChIKeyCUUJVEVEKQHVMN-CJNGLKHVSA-N
XLogP1.49
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]pyrrole-2-carboxamide (CID 72853216) is 1-cyclopropyl-N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]pyrrole-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccn2C2CC2)CN1C.
What is the InChIKey of 1-cyclopropyl-N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]pyrrole-2-carboxamide?
The InChIKey is CUUJVEVEKQHVMN-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-21(5-2)18(24)16-11-13(12-20(16)3)19-17(23)15-7-6-10-22(15)14-8-9-14/h6-7,10,13-14,16H,4-5,8-9,11-12H2,1-3H3,(H,19,23)/t13-,16+/m1/s1.
What are the key properties of 1-cyclopropyl-N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]pyrrole-2-carboxamide?
1-cyclopropyl-N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]pyrrole-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 72853216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).