N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

C14H23N5O3 — CID 72839233

IUPACN-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)[nH]2)CN1C
InChIInChI=1S/C14H23N5O3/c1-4-19(5-2)13(21)11-6-9(8-18(11)3)16-12(20)10-7-15-14(22)17-10/h7,9,11H,4-6,8H2,1-3H3,(H,16,20)(H2,15,17,22)/t9-,11-/m0/s1
InChIKeyAZRMZAUXZRDBAF-ONGXEEELSA-N
MW309.37 g/mol
LogP-0.63
Rot. Bonds5

About N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 72839233) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID72839233
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC NameN-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)[nH]2)CN1C
InChIInChI=1S/C14H23N5O3/c1-4-19(5-2)13(21)11-6-9(8-18(11)3)16-12(20)10-7-15-14(22)17-10/h7,9,11H,4-6,8H2,1-3H3,(H,16,20)(H2,15,17,22)/t9-,11-/m0/s1
InChIKeyAZRMZAUXZRDBAF-ONGXEEELSA-N
XLogP-0.63
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 72870987
(2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide
CID 72838638
N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide
CID 72849809
3-amino-N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72907418
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72852892
3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63042381
N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 72844470
N-[(3R,5S)-5-(diethylcarbamoyl)-1-propylpyrrolidin-3-yl]-2-(methylamino)pyrimidine-5-carboxamide
CID 72873267
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 72874926
N-[(3R,5S)-1-(cyclobutanecarbonyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 72924058
N-[(3R,5S)-5-(diethylcarbamoyl)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 72917744
2-[ethyl-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
CID 61021112

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 72839233) is N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)[nH]2)CN1C.
What is the InChIKey of N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is AZRMZAUXZRDBAF-ONGXEEELSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-4-19(5-2)13(21)11-6-9(8-18(11)3)16-12(20)10-7-15-14(22)17-10/h7,9,11H,4-6,8H2,1-3H3,(H,16,20)(H2,15,17,22)/t9-,11-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 72839233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).