3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide

C25H30N4O3 — CID 28786533

IUPAC3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N(C)Cc2cccc3ncccc23)c1=O
InChIInChI=1S/C25H30N4O3/c1-16(2)12-27-24(31)20-14-29(17(3)4)15-21(23(20)30)25(32)28(5)13-18-8-6-10-22-19(18)9-7-11-26-22/h6-11,14-17H,12-13H2,1-5H3,(H,27,31)
InChIKeyNMALFPIOOAJQEL-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.64
Rot. Bonds7

About 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide

3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 28786533) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID28786533
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N(C)Cc2cccc3ncccc23)c1=O
InChIInChI=1S/C25H30N4O3/c1-16(2)12-27-24(31)20-14-29(17(3)4)15-21(23(20)30)25(32)28(5)13-18-8-6-10-22-19(18)9-7-11-26-22/h6-11,14-17H,12-13H2,1-5H3,(H,27,31)
InChIKeyNMALFPIOOAJQEL-UHFFFAOYSA-N
XLogP3.64
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(furan-2-ylmethyl)-3-N-methyl-1-(2-methylpropyl)-4-oxo-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 56855692
propan-2-yl N-methyl-N-(quinolin-5-ylmethyl)carbamate
CID 135388422
N-methyl-2-oxo-6-phenyl-N-(quinolin-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 56908393
N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 70751619
3-N-benzyl-5-N-tert-butyl-3-N-methyl-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 26332568
N-methyl-N-(quinolin-5-ylmethyl)tetrazolo[1,5-a]pyridine-6-carboxamide
CID 70727747
5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45206058
N-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide
CID 166244775
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
N-methyl-2-pyrrol-1-yl-N-(quinolin-4-ylmethyl)propanamide
CID 56863740
3-N-[(4-chlorophenyl)-phenylmethyl]-5-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45228304
3-N-methyl-5-N-(2-methylpropyl)-4-oxo-3-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 75100772

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide (CID 28786533) is 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide is CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N(C)Cc2cccc3ncccc23)c1=O.
What is the InChIKey of 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is NMALFPIOOAJQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-16(2)12-27-24(31)20-14-29(17(3)4)15-21(23(20)30)25(32)28(5)13-18-8-6-10-22-19(18)9-7-11-26-22/h6-11,14-17H,12-13H2,1-5H3,(H,27,31).
What are the key properties of 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide?
3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 28786533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).