N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C18H27N5O4 — CID 72903491

IUPACN-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc(C)[nH]c2=O)CN1C1CCOCC1
InChIInChI=1S/C18H27N5O4/c1-3-19-18(26)15-8-12(10-23(15)13-4-6-27-7-5-13)22-17(25)14-9-20-11(2)21-16(14)24/h9,12-13,15H,3-8,10H2,1-2H3,(H,19,26)(H,22,25)(H,20,21,24)/t12-,15-/m0/s1
InChIKeyUWTUOJHTFSHMQR-WFASDCNBSA-N
MW377.45 g/mol
LogP-0.43
Rot. Bonds5

About N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72903491) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72903491
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc(C)[nH]c2=O)CN1C1CCOCC1
InChIInChI=1S/C18H27N5O4/c1-3-19-18(26)15-8-12(10-23(15)13-4-6-27-7-5-13)22-17(25)14-9-20-11(2)21-16(14)24/h9,12-13,15H,3-8,10H2,1-2H3,(H,19,26)(H,22,25)(H,20,21,24)/t12-,15-/m0/s1
InChIKeyUWTUOJHTFSHMQR-WFASDCNBSA-N
XLogP-0.43
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-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

(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
2-methyl-6-oxo-N-[rel-(3R,4S)-4-propyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 72889272
2-Methyl-5-{[2-(morpholin-4-ylcarbonyl)pyrrolidin-1-yl]carbonyl}pyrimidin-4-ol
CID 72926040
N-[(3S,5S)-5-[(ethylamino)carbonyl]-1-(methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 72933374
2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97454633
2-methyl-5-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97454634
2-methyl-6-oxo-N-[(3R*,4S*)-4-propyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-1,6-dihydro-5-pyrimidinecarboxamide
CID 133112385
2-methyl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 154897806
2-methyl-N-[1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 156605562

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 72903491) is N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc(C)[nH]c2=O)CN1C1CCOCC1.
What is the InChIKey of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is UWTUOJHTFSHMQR-WFASDCNBSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-3-19-18(26)15-8-12(10-23(15)13-4-6-27-7-5-13)22-17(25)14-9-20-11(2)21-16(14)24/h9,12-13,15H,3-8,10H2,1-2H3,(H,19,26)(H,22,25)(H,20,21,24)/t12-,15-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 377.45 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72903491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).