methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate

C22H28N6O3 — CID 77446170

IUPACmethyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate
SMILESCCC1C(=O)N(C)c2cnc(-c3ccncc3CNC(=O)OC)nc2N1C1CCCC1
InChIInChI=1S/C22H28N6O3/c1-4-17-21(29)27(2)18-13-24-19(26-20(18)28(17)15-7-5-6-8-15)16-9-10-23-11-14(16)12-25-22(30)31-3/h9-11,13,15,17H,4-8,12H2,1-3H3,(H,25,30)
InChIKeyOALNAWSAZUSRKN-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.90
Rot. Bonds5

About methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate

methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate (PubChem CID 77446170) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate
PubChem CID77446170
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC Namemethyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate
SMILESCCC1C(=O)N(C)c2cnc(-c3ccncc3CNC(=O)OC)nc2N1C1CCCC1
InChIInChI=1S/C22H28N6O3/c1-4-17-21(29)27(2)18-13-24-19(26-20(18)28(17)15-7-5-6-8-15)16-9-10-23-11-14(16)12-25-22(30)31-3/h9-11,13,15,17H,4-8,12H2,1-3H3,(H,25,30)
InChIKeyOALNAWSAZUSRKN-UHFFFAOYSA-N
XLogP2.90
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate
CID 77406461
(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one
CID 58405739
[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid
CID 70922068
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-(1,3-thiazol-5-yl)-7H-pteridin-6-one
CID 58405599
8-cyclobutyl-7-ethyl-5-methyl-2-(2-pyridin-4-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67372003
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1-oxidopyridin-1-ium-4-yl)-7H-pteridin-6-one
CID 67253084
8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one
CID 67254335
N-cyclohexyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzamide
CID 163503299
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylanilino)-7H-pteridin-6-one
CID 171081916
(7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one
CID 67261404
tert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate
CID 140580364

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate?
The IUPAC name of methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate (CID 77446170) is methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate is CCC1C(=O)N(C)c2cnc(-c3ccncc3CNC(=O)OC)nc2N1C1CCCC1.
What is the InChIKey of methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate?
The InChIKey is OALNAWSAZUSRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-4-17-21(29)27(2)18-13-24-19(26-20(18)28(17)15-7-5-6-8-15)16-9-10-23-11-14(16)12-25-22(30)31-3/h9-11,13,15,17H,4-8,12H2,1-3H3,(H,25,30).
What are the key properties of methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate?
methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate has a molecular weight of 424.51 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 77446170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).