2-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide

C20H19ClN4O3 — CID 137152455

IUPAC2-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide
SMILESO=C(NC1CCCC1)c1cc(OCc2nc3cnccc3c(=O)[nH]2)ccc1Cl
InChIInChI=1S/C20H19ClN4O3/c21-16-6-5-13(9-15(16)20(27)23-12-3-1-2-4-12)28-11-18-24-17-10-22-8-7-14(17)19(26)25-18/h5-10,12H,1-4,11H2,(H,23,27)(H,24,25,26)
InChIKeyAEPWJVAUNWYMDA-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.22
Rot. Bonds5

About 2-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide

2-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide (PubChem CID 137152455) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide
PubChem CID137152455
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name2-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide
SMILESO=C(NC1CCCC1)c1cc(OCc2nc3cnccc3c(=O)[nH]2)ccc1Cl
InChIInChI=1S/C20H19ClN4O3/c21-16-6-5-13(9-15(16)20(27)23-12-3-1-2-4-12)28-11-18-24-17-10-22-8-7-14(17)19(26)25-18/h5-10,12H,1-4,11H2,(H,23,27)(H,24,25,26)
InChIKeyAEPWJVAUNWYMDA-UHFFFAOYSA-N
XLogP3.22
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide with MolForge

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Related Compounds

2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide
CID 137152565
2-[(4-fluorophenoxy)methyl]-6-oxo-N-(2-oxopiperidin-3-yl)-1H-pyrimidine-5-carboxamide
CID 70753750
2-[(4-fluorophenoxy)methyl]-6-oxo-N-[(3S)-2-oxopiperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 97136842
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17188518
N-cyclopentyl-3-(ethylamino)pyridine-4-carboxamide
CID 105068169
N-(azepan-3-yl)-3-chloropyridine-4-carboxamide
CID 66482428
2-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 46741141
N-cycloheptyl-2,7-naphthyridine-1-carboxamide
CID 166311293
N-cycloheptylisoquinoline-6-carboxamide
CID 110485190
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2-chloro-5-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid
CID 106500687

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide?
The IUPAC name of 2-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide (CID 137152455) is 2-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide is O=C(NC1CCCC1)c1cc(OCc2nc3cnccc3c(=O)[nH]2)ccc1Cl.
What is the InChIKey of 2-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide?
The InChIKey is AEPWJVAUNWYMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c21-16-6-5-13(9-15(16)20(27)23-12-3-1-2-4-12)28-11-18-24-17-10-22-8-7-14(17)19(26)25-18/h5-10,12H,1-4,11H2,(H,23,27)(H,24,25,26).
What are the key properties of 2-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide?
2-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide has a molecular weight of 398.85 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide is sourced from PubChem (CID 137152455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).