2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide

C21H23N3O2 — CID 4896654

IUPAC2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)N(Cc1cccnc1)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C21H23N3O2/c1-21(2,3)20(26)24(13-15-7-6-10-22-12-15)14-17-11-16-8-4-5-9-18(16)23-19(17)25/h4-12H,13-14H2,1-3H3,(H,23,25)
InChIKeyJYNTZEBQPHVCOR-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.50
Rot. Bonds4

About 2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide

2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 4896654) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID4896654
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)N(Cc1cccnc1)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C21H23N3O2/c1-21(2,3)20(26)24(13-15-7-6-10-22-12-15)14-17-11-16-8-4-5-9-18(16)23-19(17)25/h4-12H,13-14H2,1-3H3,(H,23,25)
InChIKeyJYNTZEBQPHVCOR-UHFFFAOYSA-N
XLogP3.50
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4888416
N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2038527
N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 3865539
2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2031189
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)thiourea
CID 3170301
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide
CID 934261
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 1454936
3-(2,4-dimethylphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea
CID 3174128
1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
CID 1138005
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide
CID 1400292
3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1449557
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 945290

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide (CID 4896654) is 2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide is CC(C)(C)C(=O)N(Cc1cccnc1)Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is JYNTZEBQPHVCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-21(2,3)20(26)24(13-15-7-6-10-22-12-15)14-17-11-16-8-4-5-9-18(16)23-19(17)25/h4-12H,13-14H2,1-3H3,(H,23,25).
What are the key properties of 2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide?
2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 4896654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).