N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C18H28N4O3 — CID 97118333

IUPACN-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC[C@@H]2CCC(=O)N2CCN(C)C)c(=O)[nH]1
InChIInChI=1S/C18H28N4O3/c1-12-11-13(2)20-18(25)16(12)17(24)19-8-7-14-5-6-15(23)22(14)10-9-21(3)4/h11,14H,5-10H2,1-4H3,(H,19,24)(H,20,25)/t14-/m0/s1
InChIKeyKUVXDKHXVAEYBM-AWEZNQCLSA-N
MW348.45 g/mol
LogP0.66
Rot. Bonds7

About N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 97118333) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID97118333
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC[C@@H]2CCC(=O)N2CCN(C)C)c(=O)[nH]1
InChIInChI=1S/C18H28N4O3/c1-12-11-13(2)20-18(25)16(12)17(24)19-8-7-14-5-6-15(23)22(14)10-9-21(3)4/h11,14H,5-10H2,1-4H3,(H,19,24)(H,20,25)/t14-/m0/s1
InChIKeyKUVXDKHXVAEYBM-AWEZNQCLSA-N
XLogP0.66
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-amino-1-[(2-hydroxy-5,6,7,8-tetrahydro-3-quinolinyl)carbonyl]-N-isopropyl-2-pyrrolidinecarboxamide
CID 56702131
(4R)-4-amino-N,N-diethyl-1-[(2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-3-yl)carbonyl]-L-prolinamide
CID 56706238
(2S,4R)-4-amino-1-[(2-hydroxy-5,6,7,8-tetrahydro-3-quinolinyl)carbonyl]-N-isopropyl-2-pyrrolidinecarboxamide
CID 56721221
(2S,4S)-4-amino-N,N-diethyl-1-[(2-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)carbonyl]-2-pyrrolidinecarboxamide
CID 56721747
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1-methylpyrrolidin-2-yl)methyl]urea
CID 72047202
6-methyl-2-oxo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyridine-3-carboxamide
CID 72048707
1-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-1,2-dicarboxamide
CID 72060911
N-[(2S)-1-amino-1-oxohexan-2-yl]-6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxamide
CID 99931847
2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide
CID 125136966
N,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide
CID 45182859
(4S)-4-amino-N-ethyl-1-[(6-isopropyl-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]-L-prolinamide
CID 56703341
1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 72106916

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 97118333) is N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCC[C@@H]2CCC(=O)N2CCN(C)C)c(=O)[nH]1.
What is the InChIKey of N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KUVXDKHXVAEYBM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-12-11-13(2)20-18(25)16(12)17(24)19-8-7-14-5-6-15(23)22(14)10-9-21(3)4/h11,14H,5-10H2,1-4H3,(H,19,24)(H,20,25)/t14-/m0/s1.
What are the key properties of N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 97118333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).