N-[(3S,5S)-1-(cyclobutylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide

C19H28N4O3 — CID 72885072

IUPACN-[(3S,5S)-1-(cyclobutylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(=O)n(C)c2)CN1CC1CCC1
InChIInChI=1S/C19H28N4O3/c1-3-20-19(26)16-9-15(12-23(16)10-13-5-4-6-13)21-18(25)14-7-8-17(24)22(2)11-14/h7-8,11,13,15-16H,3-6,9-10,12H2,1-2H3,(H,20,26)(H,21,25)/t15-,16-/m0/s1
InChIKeyMBGXHJWTCKXLPB-HOTGVXAUSA-N
MW360.46 g/mol
LogP0.49
Rot. Bonds6

About N-[(3S,5S)-1-(cyclobutylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide

N-[(3S,5S)-1-(cyclobutylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 72885072) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(3S,5S)-1-(cyclobutylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-1-(cyclobutylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID72885072
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-[(3S,5S)-1-(cyclobutylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(=O)n(C)c2)CN1CC1CCC1
InChIInChI=1S/C19H28N4O3/c1-3-20-19(26)16-9-15(12-23(16)10-13-5-4-6-13)21-18(25)14-7-8-17(24)22(2)11-14/h7-8,11,13,15-16H,3-6,9-10,12H2,1-2H3,(H,20,26)(H,21,25)/t15-,16-/m0/s1
InChIKeyMBGXHJWTCKXLPB-HOTGVXAUSA-N
XLogP0.49
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[rel-(3R,4S)-1-(cyclobutylmethyl)-4-isopropyl-3-pyrrolidinyl]-6-oxo-1,6-dihydro-3-pyridinecarboxamide hydrochloride
CID 72847325
N-{(3R,5S)-1-acetyl-5-[(diethylamino)carbonyl]pyrrolidin-3-yl}-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 72857517
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 4601093
1-(cyclopropylmethyl)-5-{[4-(2-pyrrolidinylcarbonyl)piperazino]methyl}-2(1H)-pyridinone
CID 53191740
(2S,4R)-4-amino-N-methyl-1-{[2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl]acetyl}pyrrolidine-2-carboxamide
CID 56701389
2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide
CID 155374666
(4S)-4-amino-N-methyl-1-{[2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl]acetyl}-L-prolinamide
CID 56718753
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 167866133
(4S)-4-amino-N-ethyl-1-[(6-isopropyl-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]-L-prolinamide
CID 56703341
(2S,4S)-4-amino-N,N-diethyl-1-[(6-oxo-1,6-dihydropyridin-3-yl)carbonyl]pyrrolidine-2-carboxamide
CID 56703508
3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one
CID 58017366
6-oxo-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 69241099

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-1-(cyclobutylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(3S,5S)-1-(cyclobutylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide (CID 72885072) is N-[(3S,5S)-1-(cyclobutylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,5S)-1-(cyclobutylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(3S,5S)-1-(cyclobutylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(=O)n(C)c2)CN1CC1CCC1.
What is the InChIKey of N-[(3S,5S)-1-(cyclobutylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is MBGXHJWTCKXLPB-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-3-20-19(26)16-9-15(12-23(16)10-13-5-4-6-13)21-18(25)14-7-8-17(24)22(2)11-14/h7-8,11,13,15-16H,3-6,9-10,12H2,1-2H3,(H,20,26)(H,21,25)/t15-,16-/m0/s1.
What are the key properties of N-[(3S,5S)-1-(cyclobutylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(3S,5S)-1-(cyclobutylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-1-(cyclobutylmethyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 72885072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).