5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide

C27H37ClN4O3 — CID 66576544

IUPAC5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Cl)cc(N(C)C3CCN(C(=O)C(C)(C)C)CC3)c2C)c(=O)[nH]1
InChIInChI=1S/C27H37ClN4O3/c1-16-12-17(2)30-25(34)22(16)15-29-24(33)21-13-19(28)14-23(18(21)3)31(7)20-8-10-32(11-9-20)26(35)27(4,5)6/h12-14,20H,8-11,15H2,1-7H3,(H,29,33)(H,30,34)
InChIKeyOWMSXTNGSADXPZ-UHFFFAOYSA-N
MW501.07 g/mol
LogP4.36
Rot. Bonds5

About 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide

5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide (PubChem CID 66576544) has the molecular formula C27H37ClN4O3 and a molecular weight of 501.07 g/mol. Its IUPAC name is 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide
PubChem CID66576544
Molecular FormulaC27H37ClN4O3
Molecular Weight501.07 g/mol
Exact Mass500.26
IUPAC Name5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Cl)cc(N(C)C3CCN(C(=O)C(C)(C)C)CC3)c2C)c(=O)[nH]1
InChIInChI=1S/C27H37ClN4O3/c1-16-12-17(2)30-25(34)22(16)15-29-24(33)21-13-19(28)14-23(18(21)3)31(7)20-8-10-32(11-9-20)26(35)27(4,5)6/h12-14,20H,8-11,15H2,1-7H3,(H,29,33)(H,30,34)
InChIKeyOWMSXTNGSADXPZ-UHFFFAOYSA-N
XLogP4.36
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.07
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide with MolForge

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Related Compounds

5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]benzamide
CID 90151316
tert-butyl-[4-[5-chloro-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]carbamic acid
CID 90150990
5-chloro-3-[cyclopentylmethyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90150984
5-chloro-3-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 66576312
tert-butyl-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N,2-dimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]anilino]cyclohexyl]carbamic acid
CID 70872404
tert-butyl 4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-(6-formyl-3-pyridinyl)-N,2-dimethylanilino]piperidine-1-carboxylate
CID 86684892
tert-butyl 3-[1-[5-chloro-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylphenyl]ethylamino]pyrrolidine-1-carboxylate
CID 122684865
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide
CID 90150987
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide
CID 70872507
3-[cyclohexyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 70872406
3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 70874367
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)benzamide
CID 70913266

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide?
The IUPAC name of 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide (CID 66576544) is 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide is Cc1cc(C)c(CNC(=O)c2cc(Cl)cc(N(C)C3CCN(C(=O)C(C)(C)C)CC3)c2C)c(=O)[nH]1.
What is the InChIKey of 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide?
The InChIKey is OWMSXTNGSADXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37ClN4O3/c1-16-12-17(2)30-25(34)22(16)15-29-24(33)21-13-19(28)14-23(18(21)3)31(7)20-8-10-32(11-9-20)26(35)27(4,5)6/h12-14,20H,8-11,15H2,1-7H3,(H,29,33)(H,30,34).
What are the key properties of 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide?
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide has a molecular weight of 501.07 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide is sourced from PubChem (CID 66576544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).