5-N-[1-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide

C23H30ClN3O3 — CID 45172343

IUPAC5-N-[1-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NC(C)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C23H30ClN3O3/c1-14(2)11-26(6)23(30)20-13-27(15(3)4)12-19(21(20)28)22(29)25-16(5)17-7-9-18(24)10-8-17/h7-10,12-16H,11H2,1-6H3,(H,25,29)
InChIKeyBGKBJYRNBQHGJQ-UHFFFAOYSA-N
MW431.96 g/mol
LogP4.30
Rot. Bonds7

About 5-N-[1-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide

5-N-[1-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 45172343) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is 5-N-[1-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[1-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID45172343
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Name5-N-[1-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NC(C)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C23H30ClN3O3/c1-14(2)11-26(6)23(30)20-13-27(15(3)4)12-19(21(20)28)22(29)25-16(5)17-7-9-18(24)10-8-17/h7-10,12-16H,11H2,1-6H3,(H,25,29)
InChIKeyBGKBJYRNBQHGJQ-UHFFFAOYSA-N
XLogP4.30
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45228304
3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]pyridine-3,5-dicarboxamide
CID 45239152
3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 25290675
3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 26332568
3-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 42367751
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(ethylamino)benzamide
CID 81356651
3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea
CID 115603907
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242817

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-[1-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide (CID 45172343) is 5-N-[1-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[1-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-[1-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide is CC(C)CN(C)C(=O)c1cn(C(C)C)cc(C(=O)NC(C)c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 5-N-[1-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is BGKBJYRNBQHGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3/c1-14(2)11-26(6)23(30)20-13-27(15(3)4)12-19(21(20)28)22(29)25-16(5)17-7-9-18(24)10-8-17/h7-10,12-16H,11H2,1-6H3,(H,25,29).
What are the key properties of 5-N-[1-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide?
5-N-[1-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 431.96 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 45172343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).