1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione

C14H13N5O2 — CID 16845539

IUPAC1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(Nc3cccnc3)ccnc2n(C)c1=O
InChIInChI=1S/C14H13N5O2/c1-18-12-11(13(20)19(2)14(18)21)10(5-7-16-12)17-9-4-3-6-15-8-9/h3-8H,1-2H3,(H,16,17)
InChIKeyKNNWPGSZIONCSU-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.77
Rot. Bonds2

About 1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16845539) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16845539
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(Nc3cccnc3)ccnc2n(C)c1=O
InChIInChI=1S/C14H13N5O2/c1-18-12-11(13(20)19(2)14(18)21)10(5-7-16-12)17-9-4-3-6-15-8-9/h3-8H,1-2H3,(H,16,17)
InChIKeyKNNWPGSZIONCSU-UHFFFAOYSA-N
XLogP0.77
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide
CID 42475324
5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 42475261
1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845519
1,3-dimethyl-5-(1,2-oxazol-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845554
5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845547
5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845574
5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 14304689
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide
CID 16841327
1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 2826307
1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845484
7-amino-5-anilino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 2786085
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide
CID 16841396

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione (CID 16845539) is 1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(Nc3cccnc3)ccnc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KNNWPGSZIONCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-18-12-11(13(20)19(2)14(18)21)10(5-7-16-12)17-9-4-3-6-15-8-9/h3-8H,1-2H3,(H,16,17).
What are the key properties of 1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 283.29 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16845539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).