2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide

C22H28N4O2 — CID 69208381

IUPAC2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide
SMILESCNC(=O)Nc1ccc(-c2c(C)ccc(C(N)=O)c2CCC2CCCC2)cn1
InChIInChI=1S/C22H28N4O2/c1-14-7-10-18(21(23)27)17(11-8-15-5-3-4-6-15)20(14)16-9-12-19(25-13-16)26-22(28)24-2/h7,9-10,12-13,15H,3-6,8,11H2,1-2H3,(H2,23,27)(H2,24,25,26,28)
InChIKeyRIDOKWWMUZYFHX-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.03
Rot. Bonds6

About 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide

2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide (PubChem CID 69208381) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide
PubChem CID69208381
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide
SMILESCNC(=O)Nc1ccc(-c2c(C)ccc(C(N)=O)c2CCC2CCCC2)cn1
InChIInChI=1S/C22H28N4O2/c1-14-7-10-18(21(23)27)17(11-8-15-5-3-4-6-15)20(14)16-9-12-19(25-13-16)26-22(28)24-2/h7,9-10,12-13,15H,3-6,8,11H2,1-2H3,(H2,23,27)(H2,24,25,26,28)
InChIKeyRIDOKWWMUZYFHX-UHFFFAOYSA-N
XLogP4.03
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide
CID 69208380
2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide
CID 87748702
2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide
CID 69162594
1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea
CID 108903057
N-(5-amino-4-methyl-2-pyridinyl)-3-cyclohexylpropanamide
CID 61293878
1-(4,5-dimethyl-2-pyridinyl)-3-methylurea
CID 177139787
4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide
CID 70687942
1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea
CID 113026734
3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide
CID 3850137
1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea
CID 144902147
2-amino-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide
CID 168846568
6-(2-cyclobutylethylamino)-N-methylpyridazine-3-carboxamide
CID 115689939

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide?
The IUPAC name of 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide (CID 69208381) is 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide is CNC(=O)Nc1ccc(-c2c(C)ccc(C(N)=O)c2CCC2CCCC2)cn1.
What is the InChIKey of 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide?
The InChIKey is RIDOKWWMUZYFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-14-7-10-18(21(23)27)17(11-8-15-5-3-4-6-15)20(14)16-9-12-19(25-13-16)26-22(28)24-2/h7,9-10,12-13,15H,3-6,8,11H2,1-2H3,(H2,23,27)(H2,24,25,26,28).
What are the key properties of 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide?
2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 69208381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).