1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C19H14N5O3- — CID 142045172

IUPAC1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1c2cccnc2n(-c2cccc(N[O-])c2)c(=O)n1Cc1ccncc1
InChIInChI=1S/C19H14N5O3/c25-18-16-5-2-8-21-17(16)24(15-4-1-3-14(11-15)22-27)19(26)23(18)12-13-6-9-20-10-7-13/h1-11,22H,12H2/q-1
InChIKeySAJRLUTXAAWGDW-UHFFFAOYSA-N
MW360.35 g/mol
LogP1.90
Rot. Bonds4

About 1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 142045172) has the molecular formula C19H14N5O3- and a molecular weight of 360.35 g/mol. Its IUPAC name is 1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID142045172
Molecular FormulaC19H14N5O3-
Molecular Weight360.35 g/mol
Exact Mass360.11
IUPAC Name1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1c2cccnc2n(-c2cccc(N[O-])c2)c(=O)n1Cc1ccncc1
InChIInChI=1S/C19H14N5O3/c25-18-16-5-2-8-21-17(16)24(15-4-1-3-14(11-15)22-27)19(26)23(18)12-13-6-9-20-10-7-13/h1-11,22H,12H2/q-1
InChIKeySAJRLUTXAAWGDW-UHFFFAOYSA-N
XLogP1.90
TPSA104.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 19781682
3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 139932433
1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 69373361
2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide
CID 25238617
1-(3-nitrophenyl)-3-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 12764179
3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 139932468
methyl 3-[3-[(5-methyl-2-pyridinyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate
CID 67862096
3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one
CID 139932464
6-(pyridin-4-ylmethyl)-1,4-dihydropyrido[3,4-c][1,8]naphthyridin-5-one
CID 175843968
N-(3-chloro-2-methylphenyl)-2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 50811413
3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one
CID 139932415
7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 21198164

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 142045172) is 1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is O=c1c2cccnc2n(-c2cccc(N[O-])c2)c(=O)n1Cc1ccncc1.
What is the InChIKey of 1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is SAJRLUTXAAWGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N5O3/c25-18-16-5-2-8-21-17(16)24(15-4-1-3-14(11-15)22-27)19(26)23(18)12-13-6-9-20-10-7-13/h1-11,22H,12H2/q-1.
What are the key properties of 1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 360.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 142045172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).