6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one

C30H33N5O — CID 143841231

IUPAC6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
SMILESCC/C=C(/C)N1CCC(c2ccc(Nc3nc(-c4ccc(C)nc4)cc4cc[nH]c(=O)c34)cc2)CC1
InChIInChI=1S/C30H33N5O/c1-4-5-21(3)35-16-13-23(14-17-35)22-8-10-26(11-9-22)33-29-28-24(12-15-31-30(28)36)18-27(34-29)25-7-6-20(2)32-19-25/h5-12,15,18-19,23H,4,13-14,16-17H2,1-3H3,(H,31,36)(H,33,34)/b21-5-
InChIKeyXLYMGRBQYQAACS-SQFVCTCFSA-N
MW479.63 g/mol
LogP6.53
Rot. Bonds6

About 6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one

6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 143841231) has the molecular formula C30H33N5O and a molecular weight of 479.63 g/mol. Its IUPAC name is 6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
PubChem CID143841231
Molecular FormulaC30H33N5O
Molecular Weight479.63 g/mol
Exact Mass479.27
IUPAC Name6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
SMILESCC/C=C(/C)N1CCC(c2ccc(Nc3nc(-c4ccc(C)nc4)cc4cc[nH]c(=O)c34)cc2)CC1
InChIInChI=1S/C30H33N5O/c1-4-5-21(3)35-16-13-23(14-17-35)22-8-10-26(11-9-22)33-29-28-24(12-15-31-30(28)36)18-27(34-29)25-7-6-20(2)32-19-25/h5-12,15,18-19,23H,4,13-14,16-17H2,1-3H3,(H,31,36)(H,33,34)/b21-5-
InChIKeyXLYMGRBQYQAACS-SQFVCTCFSA-N
XLogP6.53
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one (CID 143841231) is 6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one is CC/C=C(/C)N1CCC(c2ccc(Nc3nc(-c4ccc(C)nc4)cc4cc[nH]c(=O)c34)cc2)CC1.
What is the InChIKey of 6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is XLYMGRBQYQAACS-SQFVCTCFSA-N. The full InChI is InChI=1S/C30H33N5O/c1-4-5-21(3)35-16-13-23(14-17-35)22-8-10-26(11-9-22)33-29-28-24(12-15-31-30(28)36)18-27(34-29)25-7-6-20(2)32-19-25/h5-12,15,18-19,23H,4,13-14,16-17H2,1-3H3,(H,31,36)(H,33,34)/b21-5-.
What are the key properties of 6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?
6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 479.63 g/mol, XLogP of 6.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methyl-3-pyridinyl)-8-[4-[1-[(Z)-pent-2-en-2-yl]piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 143841231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).