5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide

C32H42ClN5O2 — CID 90252929

IUPAC5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCc2c(C)[nH]c(C)cc2=O)c1C)C1CCC(N(C)C(C)c2ccccn2)CC1
InChIInChI=1S/C32H42ClN5O2/c1-7-38(26-13-11-25(12-14-26)37(6)23(5)29-10-8-9-15-34-29)30-18-24(33)17-27(21(30)3)32(40)35-19-28-22(4)36-20(2)16-31(28)39/h8-10,15-18,23,25-26H,7,11-14,19H2,1-6H3,(H,35,40)(H,36,39)
InChIKeyFUKAWHQAROVKQX-UHFFFAOYSA-N
MW564.17 g/mol
LogP6.11
Rot. Bonds9

About 5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide

5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide (PubChem CID 90252929) has the molecular formula C32H42ClN5O2 and a molecular weight of 564.17 g/mol. Its IUPAC name is 5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide
PubChem CID90252929
Molecular FormulaC32H42ClN5O2
Molecular Weight564.17 g/mol
Exact Mass563.30
IUPAC Name5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCc2c(C)[nH]c(C)cc2=O)c1C)C1CCC(N(C)C(C)c2ccccn2)CC1
InChIInChI=1S/C32H42ClN5O2/c1-7-38(26-13-11-25(12-14-26)37(6)23(5)29-10-8-9-15-34-29)30-18-24(33)17-27(21(30)3)32(40)35-19-28-22(4)36-20(2)16-31(28)39/h8-10,15-18,23,25-26H,7,11-14,19H2,1-6H3,(H,35,40)(H,36,39)
InChIKeyFUKAWHQAROVKQX-UHFFFAOYSA-N
XLogP6.11
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.17
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide?
The IUPAC name of 5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide (CID 90252929) is 5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide is CCN(c1cc(Cl)cc(C(=O)NCc2c(C)[nH]c(C)cc2=O)c1C)C1CCC(N(C)C(C)c2ccccn2)CC1.
What is the InChIKey of 5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide?
The InChIKey is FUKAWHQAROVKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42ClN5O2/c1-7-38(26-13-11-25(12-14-26)37(6)23(5)29-10-8-9-15-34-29)30-18-24(33)17-27(21(30)3)32(40)35-19-28-22(4)36-20(2)16-31(28)39/h8-10,15-18,23,25-26H,7,11-14,19H2,1-6H3,(H,35,40)(H,36,39).
What are the key properties of 5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide?
5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide has a molecular weight of 564.17 g/mol, XLogP of 6.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide is sourced from PubChem (CID 90252929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).