5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide

C21H27N5O2 — CID 71215207

IUPAC5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide
SMILESCNc1ncc(NC(=O)c2cc(NC(=O)CCC3CCCC3)ccc2C)cn1
InChIInChI=1S/C21H27N5O2/c1-14-7-9-16(25-19(27)10-8-15-5-3-4-6-15)11-18(14)20(28)26-17-12-23-21(22-2)24-13-17/h7,9,11-13,15H,3-6,8,10H2,1-2H3,(H,25,27)(H,26,28)(H,22,23,24)
InChIKeyVSQZRKUEHXLDLX-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.99
Rot. Bonds7

About 5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide

5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide (PubChem CID 71215207) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide
PubChem CID71215207
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide
SMILESCNc1ncc(NC(=O)c2cc(NC(=O)CCC3CCCC3)ccc2C)cn1
InChIInChI=1S/C21H27N5O2/c1-14-7-9-16(25-19(27)10-8-15-5-3-4-6-15)11-18(14)20(28)26-17-12-23-21(22-2)24-13-17/h7,9,11-13,15H,3-6,8,10H2,1-2H3,(H,25,27)(H,26,28)(H,22,23,24)
InChIKeyVSQZRKUEHXLDLX-UHFFFAOYSA-N
XLogP3.99
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-cyclohexylpropanoylamino)-2-methylbenzoyl chloride
CID 10781094
2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide
CID 90098087
N-(6-chloro-5-methyl-3-pyridinyl)-3-cyclopentylpropanamide
CID 103730306
5-(cyclopropylmethylamino)-2-methyl-N-(2-methylpyrimidin-5-yl)benzamide
CID 144732154
N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide
CID 39192508
N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide
CID 113231839
3-N-(6-amino-3-pyridinyl)-1-N-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide;ethane
CID 143414160
N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide
CID 22057992
3-cyclopentyl-N-[4-formamido-3-(methylamino)phenyl]propanamide
CID 142973982
3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
CID 26878521
1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide
CID 143414159
2-bromo-5-(3-cyclohexylpropanoylamino)benzoic acid
CID 115295764

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide?
The IUPAC name of 5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide (CID 71215207) is 5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide?
The canonical SMILES for 5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide is CNc1ncc(NC(=O)c2cc(NC(=O)CCC3CCCC3)ccc2C)cn1.
What is the InChIKey of 5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide?
The InChIKey is VSQZRKUEHXLDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14-7-9-16(25-19(27)10-8-15-5-3-4-6-15)11-18(14)20(28)26-17-12-23-21(22-2)24-13-17/h7,9,11-13,15H,3-6,8,10H2,1-2H3,(H,25,27)(H,26,28)(H,22,23,24).
What are the key properties of 5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide?
5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 71215207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).