N-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide

C19H20N4O3 — CID 122150068

IUPACN-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide
SMILESCN(CCCOc1ccccc1)C(=O)Cn1cnc2cnccc2c1=O
InChIInChI=1S/C19H20N4O3/c1-22(10-5-11-26-15-6-3-2-4-7-15)18(24)13-23-14-21-17-12-20-9-8-16(17)19(23)25/h2-4,6-9,12,14H,5,10-11,13H2,1H3
InChIKeyPZNGYRITPGCYJF-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.72
Rot. Bonds7

About N-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide

N-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide (PubChem CID 122150068) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide
PubChem CID122150068
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide
SMILESCN(CCCOc1ccccc1)C(=O)Cn1cnc2cnccc2c1=O
InChIInChI=1S/C19H20N4O3/c1-22(10-5-11-26-15-6-3-2-4-7-15)18(24)13-23-14-21-17-12-20-9-8-16(17)19(23)25/h2-4,6-9,12,14H,5,10-11,13H2,1H3
InChIKeyPZNGYRITPGCYJF-UHFFFAOYSA-N
XLogP1.72
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
CID 60508904
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one
CID 45212891
4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137206
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 41439109
2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 122136488
N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide
CID 43253838
1-methyl-1-(3-phenoxypropyl)-3-(pyridin-4-ylmethyl)urea
CID 86998973
N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide
CID 60944727
3-[methyl-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 60988516
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4809022
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide?
The IUPAC name of N-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide (CID 122150068) is N-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide?
The canonical SMILES for N-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide is CN(CCCOc1ccccc1)C(=O)Cn1cnc2cnccc2c1=O.
What is the InChIKey of N-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide?
The InChIKey is PZNGYRITPGCYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-22(10-5-11-26-15-6-3-2-4-7-15)18(24)13-23-14-21-17-12-20-9-8-16(17)19(23)25/h2-4,6-9,12,14H,5,10-11,13H2,1H3.
What are the key properties of N-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide?
N-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-oxopyrido[3,4-d]pyrimidin-3-yl)-N-(3-phenoxypropyl)acetamide is sourced from PubChem (CID 122150068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).