6-(2-chloro-6-ethylphenyl)-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

C20H16ClN5O — CID 143710893

IUPAC6-(2-chloro-6-ethylphenyl)-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cccc(Cl)c1-c1cc2cnc(Nc3ccccn3)nc2[nH]c1=O
InChIInChI=1S/C20H16ClN5O/c1-2-12-6-5-7-15(21)17(12)14-10-13-11-23-20(26-18(13)25-19(14)27)24-16-8-3-4-9-22-16/h3-11H,2H2,1H3,(H2,22,23,24,25,26,27)
InChIKeyPAYWDMRCSCTXQZ-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.34
Rot. Bonds4

About 6-(2-chloro-6-ethylphenyl)-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-6-ethylphenyl)-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 143710893) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 6-(2-chloro-6-ethylphenyl)-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chloro-6-ethylphenyl)-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID143710893
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name6-(2-chloro-6-ethylphenyl)-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cccc(Cl)c1-c1cc2cnc(Nc3ccccn3)nc2[nH]c1=O
InChIInChI=1S/C20H16ClN5O/c1-2-12-6-5-7-15(21)17(12)14-10-13-11-23-20(26-18(13)25-19(14)27)24-16-8-3-4-9-22-16/h3-11H,2H2,1H3,(H2,22,23,24,25,26,27)
InChIKeyPAYWDMRCSCTXQZ-UHFFFAOYSA-N
XLogP4.34
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-ethylphenyl)-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chloro-6-ethylphenyl)-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one (CID 143710893) is 6-(2-chloro-6-ethylphenyl)-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chloro-6-ethylphenyl)-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chloro-6-ethylphenyl)-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one is CCc1cccc(Cl)c1-c1cc2cnc(Nc3ccccn3)nc2[nH]c1=O.
What is the InChIKey of 6-(2-chloro-6-ethylphenyl)-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PAYWDMRCSCTXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-2-12-6-5-7-15(21)17(12)14-10-13-11-23-20(26-18(13)25-19(14)27)24-16-8-3-4-9-22-16/h3-11H,2H2,1H3,(H2,22,23,24,25,26,27).
What are the key properties of 6-(2-chloro-6-ethylphenyl)-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
6-(2-chloro-6-ethylphenyl)-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 377.84 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-ethylphenyl)-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 143710893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).