2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide

C19H21ClN4O2 — CID 90098087

IUPAC2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide
SMILESO=C(CCC1CCCC1)Nc1ccc(Cl)c(C(=O)Nc2cncnc2)c1
InChIInChI=1S/C19H21ClN4O2/c20-17-7-6-14(23-18(25)8-5-13-3-1-2-4-13)9-16(17)19(26)24-15-10-21-12-22-11-15/h6-7,9-13H,1-5,8H2,(H,23,25)(H,24,26)
InChIKeyBFYCEVWXSOZBRI-UHFFFAOYSA-N
MW372.86 g/mol
LogP4.29
Rot. Bonds6

About 2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide

2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide (PubChem CID 90098087) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide
PubChem CID90098087
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide
SMILESO=C(CCC1CCCC1)Nc1ccc(Cl)c(C(=O)Nc2cncnc2)c1
InChIInChI=1S/C19H21ClN4O2/c20-17-7-6-14(23-18(25)8-5-13-3-1-2-4-13)9-16(17)19(26)24-15-10-21-12-22-11-15/h6-7,9-13H,1-5,8H2,(H,23,25)(H,24,26)
InChIKeyBFYCEVWXSOZBRI-UHFFFAOYSA-N
XLogP4.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide
CID 71215207
N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide
CID 113231839
5-(3-cyclohexylpropanoylamino)-2-methylbenzoyl chloride
CID 10781094
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
2-bromo-5-(3-cyclohexylpropanoylamino)benzoic acid
CID 115295764
N-(6-chloro-5-methyl-3-pyridinyl)-3-cyclopentylpropanamide
CID 103730306
N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide
CID 79767583
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888
5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide
CID 1063518
4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide
CID 55890068
2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide
CID 106812415
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide?
The IUPAC name of 2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide (CID 90098087) is 2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide?
The canonical SMILES for 2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide is O=C(CCC1CCCC1)Nc1ccc(Cl)c(C(=O)Nc2cncnc2)c1.
What is the InChIKey of 2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide?
The InChIKey is BFYCEVWXSOZBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-17-7-6-14(23-18(25)8-5-13-3-1-2-4-13)9-16(17)19(26)24-15-10-21-12-22-11-15/h6-7,9-13H,1-5,8H2,(H,23,25)(H,24,26).
What are the key properties of 2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide?
2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide has a molecular weight of 372.86 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-cyclopentylpropanoylamino)-N-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 90098087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).