N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide

C19H29N5O3 — CID 72924790

IUPACN-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cnc[nH]c2=O)CN1C1CCCC1
InChIInChI=1S/C19H29N5O3/c1-3-23(4-2)19(27)16-9-13(11-24(16)14-7-5-6-8-14)22-18(26)15-10-20-12-21-17(15)25/h10,12-14,16H,3-9,11H2,1-2H3,(H,22,26)(H,20,21,25)/t13-,16+/m1/s1
InChIKeyYRJJHPQFPOUVRA-CJNGLKHVSA-N
MW375.47 g/mol
LogP0.75
Rot. Bonds6

About N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide

N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72924790) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72924790
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC NameN-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cnc[nH]c2=O)CN1C1CCCC1
InChIInChI=1S/C19H29N5O3/c1-3-23(4-2)19(27)16-9-13(11-24(16)14-7-5-6-8-14)22-18(26)15-10-20-12-21-17(15)25/h10,12-14,16H,3-9,11H2,1-2H3,(H,22,26)(H,20,21,25)/t13-,16+/m1/s1
InChIKeyYRJJHPQFPOUVRA-CJNGLKHVSA-N
XLogP0.75
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-amino-N,N-diethyl-1-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-prolinamide
CID 56713154
(4S)-4-amino-N,N-diethyl-1-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-prolinamide
CID 56721658
(4S)-4-amino-N,N-diethyl-1-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-L-prolinamide
CID 56722262
(4R)-4-amino-N,N-diethyl-1-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-L-prolinamide
CID 56747328
(2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 70752051
N-{(3S,5S)-5-[(ethylamino)carbonyl]-1-propylpyrrolidin-3-yl}-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 72845975
N-{(3R,5S)-5-[(diethylamino)carbonyl]-1-isobutylpyrrolidin-3-yl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 72928562
N-(2-(5-methyl-6-oxopyrimidin-1(6H)-yl)ethyl)-5-oxopyrrolidine-2-carboxamide
CID 121121187
N-[(1-isopropylpyrrolidin-2-yl)methyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 131897080

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 72924790) is N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cnc[nH]c2=O)CN1C1CCCC1.
What is the InChIKey of N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YRJJHPQFPOUVRA-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-3-23(4-2)19(27)16-9-13(11-24(16)14-7-5-6-8-14)22-18(26)15-10-20-12-21-17(15)25/h10,12-14,16H,3-9,11H2,1-2H3,(H,22,26)(H,20,21,25)/t13-,16+/m1/s1.
What are the key properties of N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72924790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).