3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-ethylbenzamide

C23H31N3O2 — CID 77147056

IUPAC3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-ethylbenzamide
SMILESCCc1c(C(=O)NCC2C(=O)N=C(C)C=C2C)cccc1N(C)C1CCCC1
InChIInChI=1S/C23H31N3O2/c1-5-18-19(11-8-12-21(18)26(4)17-9-6-7-10-17)22(27)24-14-20-15(2)13-16(3)25-23(20)28/h8,11-13,17,20H,5-7,9-10,14H2,1-4H3,(H,24,27)
InChIKeyPIIUIHOFHCNCAA-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.92
Rot. Bonds6

About 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-ethylbenzamide

3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-ethylbenzamide (PubChem CID 77147056) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-ethylbenzamide.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-ethylbenzamide
PubChem CID77147056
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-ethylbenzamide
SMILESCCc1c(C(=O)NCC2C(=O)N=C(C)C=C2C)cccc1N(C)C1CCCC1
InChIInChI=1S/C23H31N3O2/c1-5-18-19(11-8-12-21(18)26(4)17-9-6-7-10-17)22(27)24-14-20-15(2)13-16(3)25-23(20)28/h8,11-13,17,20H,5-7,9-10,14H2,1-4H3,(H,24,27)
InChIKeyPIIUIHOFHCNCAA-UHFFFAOYSA-N
XLogP3.92
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-ethylbenzamide?
The IUPAC name of 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-ethylbenzamide (CID 77147056) is 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-ethylbenzamide.
What is the SMILES notation for 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-ethylbenzamide?
The canonical SMILES for 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-ethylbenzamide is CCc1c(C(=O)NCC2C(=O)N=C(C)C=C2C)cccc1N(C)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-ethylbenzamide?
The InChIKey is PIIUIHOFHCNCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-5-18-19(11-8-12-21(18)26(4)17-9-6-7-10-17)22(27)24-14-20-15(2)13-16(3)25-23(20)28/h8,11-13,17,20H,5-7,9-10,14H2,1-4H3,(H,24,27).
What are the key properties of 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-ethylbenzamide?
3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-ethylbenzamide has a molecular weight of 381.52 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-ethylbenzamide is sourced from PubChem (CID 77147056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).