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

C22H23ClN4O3 — CID 137152554

IUPAC2-chloro-N-(cyclohexylmethyl)-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide
SMILESO=C(NCC1CCCCC1)c1cc(OCc2nc3cnccc3c(=O)[nH]2)ccc1Cl
InChIInChI=1S/C22H23ClN4O3/c23-18-7-6-15(10-17(18)21(28)25-11-14-4-2-1-3-5-14)30-13-20-26-19-12-24-9-8-16(19)22(29)27-20/h6-10,12,14H,1-5,11,13H2,(H,25,28)(H,26,27,29)
InChIKeyOKUMWDCAHKYEOU-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.86
Rot. Bonds6

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

2-chloro-N-(cyclohexylmethyl)-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide (PubChem CID 137152554) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexylmethyl)-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohexylmethyl)-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide
PubChem CID137152554
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name2-chloro-N-(cyclohexylmethyl)-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide
SMILESO=C(NCC1CCCCC1)c1cc(OCc2nc3cnccc3c(=O)[nH]2)ccc1Cl
InChIInChI=1S/C22H23ClN4O3/c23-18-7-6-15(10-17(18)21(28)25-11-14-4-2-1-3-5-14)30-13-20-26-19-12-24-9-8-16(19)22(29)27-20/h6-10,12,14H,1-5,11,13H2,(H,25,28)(H,26,27,29)
InChIKeyOKUMWDCAHKYEOU-UHFFFAOYSA-N
XLogP3.86
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-(cyclohexylmethyl)-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-chloro-N-cyclopentyl-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide
CID 137152455
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483
2-chloro-5-[2-(2-chloroethoxy)ethoxy]-N-(cyclooctylmethyl)benzamide;methane
CID 173256832
2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide
CID 149332250
2-chloro-N-(oxan-4-ylmethyl)-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]benzamide
CID 161448464
2-[(4-nitrophenoxy)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137152440
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
CID 173122018
4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride
CID 65371129
5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922216
N-(cyclopentylmethyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256785

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclohexylmethyl)-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide?
The IUPAC name of 2-chloro-N-(cyclohexylmethyl)-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide (CID 137152554) is 2-chloro-N-(cyclohexylmethyl)-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide.
What is the SMILES notation for 2-chloro-N-(cyclohexylmethyl)-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide?
The canonical SMILES for 2-chloro-N-(cyclohexylmethyl)-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide is O=C(NCC1CCCCC1)c1cc(OCc2nc3cnccc3c(=O)[nH]2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(cyclohexylmethyl)-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide?
The InChIKey is OKUMWDCAHKYEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c23-18-7-6-15(10-17(18)21(28)25-11-14-4-2-1-3-5-14)30-13-20-26-19-12-24-9-8-16(19)22(29)27-20/h6-10,12,14H,1-5,11,13H2,(H,25,28)(H,26,27,29).
What are the key properties of 2-chloro-N-(cyclohexylmethyl)-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide?
2-chloro-N-(cyclohexylmethyl)-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide has a molecular weight of 426.90 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohexylmethyl)-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide is sourced from PubChem (CID 137152554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).