N-[2-hydroxy-4-[5-(2-methoxyethylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]acetamide

C19H21N5O4 — CID 66959336

IUPACN-[2-hydroxy-4-[5-(2-methoxyethylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]acetamide
SMILESCOCCNc1nc(-c2ccc(NC(C)=O)c(O)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C19H21N5O4/c1-11(25)22-13-5-4-12(8-16(13)26)14-9-15-17(19(27)24(2)10-21-15)18(23-14)20-6-7-28-3/h4-5,8-10,26H,6-7H2,1-3H3,(H,20,23)(H,22,25)
InChIKeySCULLKBTRUKYKO-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.72
Rot. Bonds6

About N-[2-hydroxy-4-[5-(2-methoxyethylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]acetamide

N-[2-hydroxy-4-[5-(2-methoxyethylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]acetamide (PubChem CID 66959336) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[2-hydroxy-4-[5-(2-methoxyethylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-4-[5-(2-methoxyethylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]acetamide
PubChem CID66959336
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC NameN-[2-hydroxy-4-[5-(2-methoxyethylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]acetamide
SMILESCOCCNc1nc(-c2ccc(NC(C)=O)c(O)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C19H21N5O4/c1-11(25)22-13-5-4-12(8-16(13)26)14-9-15-17(19(27)24(2)10-21-15)18(23-14)20-6-7-28-3/h4-5,8-10,26H,6-7H2,1-3H3,(H,20,23)(H,22,25)
InChIKeySCULLKBTRUKYKO-UHFFFAOYSA-N
XLogP1.72
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-(Ethylamino)-7-[4-(1-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50924273
methyl N-[2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate
CID 50924589
5-(Cyclopropylamino)-7-[4-(hydroxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50924738
7-[4-(1-Hydroxyethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50924742
[4-[[5-Chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-hydroxyphenyl]-morpholin-4-ylmethanone
CID 58539292
methyl N-[(2S)-1-[[7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]carbamate
CID 66889870
7-[4-(Hydroxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959277
7-[4-(1-Hydroxycyclobutyl)phenyl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959282
5-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959441
5-(Ethylamino)-7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959546
3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66959555
5-(Ethylamino)-7-[4-(1-hydroxycyclopentyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959557

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-4-[5-(2-methoxyethylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]acetamide?
The IUPAC name of N-[2-hydroxy-4-[5-(2-methoxyethylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]acetamide (CID 66959336) is N-[2-hydroxy-4-[5-(2-methoxyethylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-4-[5-(2-methoxyethylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]acetamide?
The canonical SMILES for N-[2-hydroxy-4-[5-(2-methoxyethylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]acetamide is COCCNc1nc(-c2ccc(NC(C)=O)c(O)c2)cc2ncn(C)c(=O)c12.
What is the InChIKey of N-[2-hydroxy-4-[5-(2-methoxyethylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]acetamide?
The InChIKey is SCULLKBTRUKYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-11(25)22-13-5-4-12(8-16(13)26)14-9-15-17(19(27)24(2)10-21-15)18(23-14)20-6-7-28-3/h4-5,8-10,26H,6-7H2,1-3H3,(H,20,23)(H,22,25).
What are the key properties of N-[2-hydroxy-4-[5-(2-methoxyethylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]acetamide?
N-[2-hydroxy-4-[5-(2-methoxyethylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]acetamide has a molecular weight of 383.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-4-[5-(2-methoxyethylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]phenyl]acetamide is sourced from PubChem (CID 66959336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).