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

C13H10N4O2 — CID 20994639

IUPAC3-(pyridin-3-ylmethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2cccnc2c(=O)n1Cc1cccnc1
InChIInChI=1S/C13H10N4O2/c18-12-11-10(4-2-6-15-11)16-13(19)17(12)8-9-3-1-5-14-7-9/h1-7H,8H2,(H,16,19)
InChIKeyFZDVFVUXGQUULH-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.53
Rot. Bonds2

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

3-(pyridin-3-ylmethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 20994639) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(pyridin-3-ylmethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID20994639
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name3-(pyridin-3-ylmethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2cccnc2c(=O)n1Cc1cccnc1
InChIInChI=1S/C13H10N4O2/c18-12-11-10(4-2-6-15-11)16-13(19)17(12)8-9-3-1-5-14-7-9/h1-7H,8H2,(H,16,19)
InChIKeyFZDVFVUXGQUULH-UHFFFAOYSA-N
XLogP0.53
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Saruparib
CID 155586901
5-[[(3R)-1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide
CID 168177312
5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide
CID 168177329
2-mercapto-3-pyridin-3-ylquinazolin-4(3H)-one
CID 2725832
3-amino-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10182620
[6-(6-Methyl-pyridin-3-ylamino)-pyridin-3-yl]-piperidin-1-yl-methanone
CID 23725592
3,5-Dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
CID 24998410
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 68161275
6-amino-N-(5-cyano-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036888
5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 155586926
5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155587004
5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-methylpyridine-2-carboxamide
CID 166065636

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(pyridin-3-ylmethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione (CID 20994639) is 3-(pyridin-3-ylmethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(pyridin-3-ylmethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(pyridin-3-ylmethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2cccnc2c(=O)n1Cc1cccnc1.
What is the InChIKey of 3-(pyridin-3-ylmethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is FZDVFVUXGQUULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c18-12-11-10(4-2-6-15-11)16-13(19)17(12)8-9-3-1-5-14-7-9/h1-7H,8H2,(H,16,19).
What are the key properties of 3-(pyridin-3-ylmethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
3-(pyridin-3-ylmethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 254.25 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylmethyl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 20994639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).