2-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide

C22H28N6O3 — CID 171618457

IUPAC2-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide
SMILESCCC1C(=O)N(C)c2cnc(Nc3c(OC)cccc3C(N)=O)nc2N1C1CCCC1
InChIInChI=1S/C22H28N6O3/c1-4-15-21(30)27(2)16-12-24-22(26-20(16)28(15)13-8-5-6-9-13)25-18-14(19(23)29)10-7-11-17(18)31-3/h7,10-13,15H,4-6,8-9H2,1-3H3,(H2,23,29)(H,24,25,26)
InChIKeyHYQKYQJNRLLVPK-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.83
Rot. Bonds6

About 2-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide

2-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide (PubChem CID 171618457) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide.

Molecular Properties

Compound Name2-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide
PubChem CID171618457
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC Name2-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide
SMILESCCC1C(=O)N(C)c2cnc(Nc3c(OC)cccc3C(N)=O)nc2N1C1CCCC1
InChIInChI=1S/C22H28N6O3/c1-4-15-21(30)27(2)16-12-24-22(26-20(16)28(15)13-8-5-6-9-13)25-18-14(19(23)29)10-7-11-17(18)31-3/h7,10-13,15H,4-6,8-9H2,1-3H3,(H2,23,29)(H,24,25,26)
InChIKeyHYQKYQJNRLLVPK-UHFFFAOYSA-N
XLogP2.83
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(5-piperidin-4-yloxypentyl)benzamide
CID 175989126
8-cyclopentyl-7-ethyl-2-(4-fluoro-2-methoxyanilino)-5-methyl-7H-pteridin-6-one
CID 171081446
methyl 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2-fluoro-5-methoxybenzoate
CID 178015453
8-cyclopentyl-7-ethyl-2-(2-methoxy-4-propan-2-ylanilino)-5-methyl-7H-pteridin-6-one
CID 171081017
(7R)-2-(4-butan-2-yl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
CID 171081046
ethyl 5-[4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxyphenyl]-1,3,4-oxadiazole-2-carboxylate
CID 175603854
4-[[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]methyl]-3-methoxybenzoic acid
CID 175603860
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylanilino)-7H-pteridin-6-one
CID 171081916
(7R)-2-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-2-methoxyanilino]-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
CID 171081944
4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methoxybenzamide
CID 59139944
2-[4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxyphenyl]-1H-benzimidazole-4-carboxamide
CID 166633151
N-cyclohexyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzamide
CID 163503299

Frequently Asked Questions

What is the IUPAC name of 2-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide?
The IUPAC name of 2-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide (CID 171618457) is 2-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide.
What is the SMILES notation for 2-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide?
The canonical SMILES for 2-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide is CCC1C(=O)N(C)c2cnc(Nc3c(OC)cccc3C(N)=O)nc2N1C1CCCC1.
What is the InChIKey of 2-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide?
The InChIKey is HYQKYQJNRLLVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-4-15-21(30)27(2)16-12-24-22(26-20(16)28(15)13-8-5-6-9-13)25-18-14(19(23)29)10-7-11-17(18)31-3/h7,10-13,15H,4-6,8-9H2,1-3H3,(H2,23,29)(H,24,25,26).
What are the key properties of 2-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide?
2-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide has a molecular weight of 424.51 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxybenzamide is sourced from PubChem (CID 171618457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).