1-(3-chlorophenyl)-3-[(4-oxo-1-pyridinyl)methyl]-4H-pyrido[2,3-d]pyrimidin-2-one

C19H15ClN4O2 — CID 67862023

IUPAC1-(3-chlorophenyl)-3-[(4-oxo-1-pyridinyl)methyl]-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESO=C1N(Cn2ccc(=O)cc2)Cc2cccnc2N1c1cccc(Cl)c1
InChIInChI=1S/C19H15ClN4O2/c20-15-4-1-5-16(11-15)24-18-14(3-2-8-21-18)12-23(19(24)26)13-22-9-6-17(25)7-10-22/h1-11H,12-13H2
InChIKeyNLWDFMWJAPBWTF-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.63
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(4-oxo-1-pyridinyl)methyl]-4H-pyrido[2,3-d]pyrimidin-2-one

1-(3-chlorophenyl)-3-[(4-oxo-1-pyridinyl)methyl]-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 67862023) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(4-oxo-1-pyridinyl)methyl]-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(4-oxo-1-pyridinyl)methyl]-4H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID67862023
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name1-(3-chlorophenyl)-3-[(4-oxo-1-pyridinyl)methyl]-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESO=C1N(Cn2ccc(=O)cc2)Cc2cccnc2N1c1cccc(Cl)c1
InChIInChI=1S/C19H15ClN4O2/c20-15-4-1-5-16(11-15)24-18-14(3-2-8-21-18)12-23(19(24)26)13-22-9-6-17(25)7-10-22/h1-11H,12-13H2
InChIKeyNLWDFMWJAPBWTF-UHFFFAOYSA-N
XLogP3.63
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(4-oxo-1-pyridinyl)methyl]-4H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[(4-oxo-1-pyridinyl)methyl]-4H-pyrido[2,3-d]pyrimidin-2-one (CID 67862023) is 1-(3-chlorophenyl)-3-[(4-oxo-1-pyridinyl)methyl]-4H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(4-oxo-1-pyridinyl)methyl]-4H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(4-oxo-1-pyridinyl)methyl]-4H-pyrido[2,3-d]pyrimidin-2-one is O=C1N(Cn2ccc(=O)cc2)Cc2cccnc2N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(4-oxo-1-pyridinyl)methyl]-4H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is NLWDFMWJAPBWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c20-15-4-1-5-16(11-15)24-18-14(3-2-8-21-18)12-23(19(24)26)13-22-9-6-17(25)7-10-22/h1-11H,12-13H2.
What are the key properties of 1-(3-chlorophenyl)-3-[(4-oxo-1-pyridinyl)methyl]-4H-pyrido[2,3-d]pyrimidin-2-one?
1-(3-chlorophenyl)-3-[(4-oxo-1-pyridinyl)methyl]-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 366.81 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(4-oxo-1-pyridinyl)methyl]-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 67862023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).