8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

C14H13N5O — CID 5330208

IUPAC8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccncc3)nc21
InChIInChI=1S/C14H13N5O/c1-2-19-12(20)4-3-10-9-16-14(18-13(10)19)17-11-5-7-15-8-6-11/h3-9H,2H2,1H3,(H,15,16,17,18)
InChIKeyBMKRSRGITJQCJD-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.95
Rot. Bonds3

About 8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330208) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330208
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccncc3)nc21
InChIInChI=1S/C14H13N5O/c1-2-19-12(20)4-3-10-9-16-14(18-13(10)19)17-11-5-7-15-8-6-11/h3-9H,2H2,1H3,(H,15,16,17,18)
InChIKeyBMKRSRGITJQCJD-UHFFFAOYSA-N
XLogP1.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 5330208) is 8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(Nc3ccncc3)nc21.
What is the InChIKey of 8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BMKRSRGITJQCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-2-19-12(20)4-3-10-9-16-14(18-13(10)19)17-11-5-7-15-8-6-11/h3-9H,2H2,1H3,(H,15,16,17,18).
What are the key properties of 8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 267.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).