8-(3-aminopropyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

C23H23ClN6O — CID 127049404

IUPAC8-(3-aminopropyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCN)c2n1
InChIInChI=1S/C23H23ClN6O/c1-14-5-3-6-20(28-14)15-7-8-17(19(24)12-15)18-11-16-13-27-23(26-2)29-21(16)30(22(18)31)10-4-9-25/h3,5-8,11-13H,4,9-10,25H2,1-2H3,(H,26,27,29)
InChIKeyBDKKMMXHTHOEBI-UHFFFAOYSA-N
MW434.93 g/mol
LogP3.87
Rot. Bonds6

About 8-(3-aminopropyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

8-(3-aminopropyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 127049404) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is 8-(3-aminopropyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(3-aminopropyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID127049404
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC Name8-(3-aminopropyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCN)c2n1
InChIInChI=1S/C23H23ClN6O/c1-14-5-3-6-20(28-14)15-7-8-17(19(24)12-15)18-11-16-13-27-23(26-2)29-21(16)30(22(18)31)10-4-9-25/h3,5-8,11-13H,4,9-10,25H2,1-2H3,(H,26,27,29)
InChIKeyBDKKMMXHTHOEBI-UHFFFAOYSA-N
XLogP3.87
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopropyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(3-aminopropyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (CID 127049404) is 8-(3-aminopropyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(3-aminopropyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(3-aminopropyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCN)c2n1.
What is the InChIKey of 8-(3-aminopropyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BDKKMMXHTHOEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c1-14-5-3-6-20(28-14)15-7-8-17(19(24)12-15)18-11-16-13-27-23(26-2)29-21(16)30(22(18)31)10-4-9-25/h3,5-8,11-13H,4,9-10,25H2,1-2H3,(H,26,27,29).
What are the key properties of 8-(3-aminopropyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
8-(3-aminopropyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 434.93 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopropyl)-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 127049404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).