(2S,4S)-4-(cyclobutanecarbonylamino)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide

C20H30N4O3 — CID 72908048

IUPAC(2S,4S)-4-(cyclobutanecarbonylamino)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)C2CCC2)CN1Cc1[nH]cc(C)c(=O)c1C
InChIInChI=1S/C20H30N4O3/c1-4-21-20(27)17-8-15(23-19(26)14-6-5-7-14)10-24(17)11-16-13(3)18(25)12(2)9-22-16/h9,14-15,17H,4-8,10-11H2,1-3H3,(H,21,27)(H,22,25)(H,23,26)/t15-,17-/m0/s1
InChIKeyAGZKBJIYTXWZKT-RDJZCZTQSA-N
MW374.49 g/mol
LogP0.99
Rot. Bonds6

About (2S,4S)-4-(cyclobutanecarbonylamino)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide

(2S,4S)-4-(cyclobutanecarbonylamino)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide (PubChem CID 72908048) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is (2S,4S)-4-(cyclobutanecarbonylamino)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-(cyclobutanecarbonylamino)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide
PubChem CID72908048
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name(2S,4S)-4-(cyclobutanecarbonylamino)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)C2CCC2)CN1Cc1[nH]cc(C)c(=O)c1C
InChIInChI=1S/C20H30N4O3/c1-4-21-20(27)17-8-15(23-19(26)14-6-5-7-14)10-24(17)11-16-13(3)18(25)12(2)9-22-16/h9,14-15,17H,4-8,10-11H2,1-3H3,(H,21,27)(H,22,25)(H,23,26)/t15-,17-/m0/s1
InChIKeyAGZKBJIYTXWZKT-RDJZCZTQSA-N
XLogP0.99
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl-methylamino]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 129613090
1-(cyclohexylcarbonyl)-N-[(4-hydroxy-3,5-dimethylpyridin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 50973488
(2S,4S)-4-amino-N,N-diethyl-1-[(6-oxo-1,6-dihydropyridin-3-yl)carbonyl]pyrrolidine-2-carboxamide
CID 56703508
1-{1-[(4-Hydroxy-3,5-dimethyl-2-pyridinyl)methyl]-3-piperidinyl}-2-pyrrolidinone
CID 56868714
6-acetyl-N-[5-carbamoyl-1-[2-(2-methylpropanoylamino)acetyl]pyrrolidin-3-yl]-4-methylidene-1H-pyridine-2-carboxamide;2-methylpropane
CID 145496726
1-[(2S)-2-[[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-[(2Z)-2-(1-aminoethylidene)-3-oxopentyl]pyrrolidine-2-carboxamide
CID 163386411
(2R,4R)-1-[(E)-4-cyclobutyl-4-oxobut-2-enoyl]-4-(ethylamino)pyrrolidine-2-carboxamide
CID 164081570
(2S)-1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 52395005
(2R)-1-(cyclohexanecarbonyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 52395006
N-[(3S,5S)-5-[(ethylamino)carbonyl]-1-(3-methyl-2-buten-1-yl)-3-pyrrolidinyl]-4-hydroxy-6-methylnicotinamide
CID 72847982
N-{(3R,5S)-1-butyl-5-[(diethylamino)carbonyl]-3-pyrrolidinyl}-4-hydroxy-6-methylnicotinamide
CID 72859449
N-{(3S,5S)-1-(cyclobutylmethyl)-5-[(ethylamino)carbonyl]pyrrolidin-3-yl}-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 72885072

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(cyclobutanecarbonylamino)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-(cyclobutanecarbonylamino)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide (CID 72908048) is (2S,4S)-4-(cyclobutanecarbonylamino)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-(cyclobutanecarbonylamino)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-(cyclobutanecarbonylamino)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)C2CCC2)CN1Cc1[nH]cc(C)c(=O)c1C.
What is the InChIKey of (2S,4S)-4-(cyclobutanecarbonylamino)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide?
The InChIKey is AGZKBJIYTXWZKT-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-4-21-20(27)17-8-15(23-19(26)14-6-5-7-14)10-24(17)11-16-13(3)18(25)12(2)9-22-16/h9,14-15,17H,4-8,10-11H2,1-3H3,(H,21,27)(H,22,25)(H,23,26)/t15-,17-/m0/s1.
What are the key properties of (2S,4S)-4-(cyclobutanecarbonylamino)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide?
(2S,4S)-4-(cyclobutanecarbonylamino)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(cyclobutanecarbonylamino)-1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 72908048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).