6-(6-amino-3-pyridinyl)-8-[4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one

C30H35N7O2 — CID 58094548

IUPAC6-(6-amino-3-pyridinyl)-8-[4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one
SMILESNc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(CCN4CCC(N5CCOCC5)CC4)cc3)n2)cn1
InChIInChI=1S/C30H35N7O2/c31-27-6-3-23(20-33-27)26-19-22-7-11-32-30(38)28(22)29(35-26)34-24-4-1-21(2-5-24)8-12-36-13-9-25(10-14-36)37-15-17-39-18-16-37/h1-7,11,19-20,25H,8-10,12-18H2,(H2,31,33)(H,32,38)(H,34,35)
InChIKeyWHKSUMDQQIOOTI-UHFFFAOYSA-N
MW525.66 g/mol
LogP3.65
Rot. Bonds7

About 6-(6-amino-3-pyridinyl)-8-[4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one

6-(6-amino-3-pyridinyl)-8-[4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 58094548) has the molecular formula C30H35N7O2 and a molecular weight of 525.66 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-8-[4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-8-[4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one
PubChem CID58094548
Molecular FormulaC30H35N7O2
Molecular Weight525.66 g/mol
Exact Mass525.29
IUPAC Name6-(6-amino-3-pyridinyl)-8-[4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one
SMILESNc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(CCN4CCC(N5CCOCC5)CC4)cc3)n2)cn1
InChIInChI=1S/C30H35N7O2/c31-27-6-3-23(20-33-27)26-19-22-7-11-32-30(38)28(22)29(35-26)34-24-4-1-21(2-5-24)8-12-36-13-9-25(10-14-36)37-15-17-39-18-16-37/h1-7,11,19-20,25H,8-10,12-18H2,(H2,31,33)(H,32,38)(H,34,35)
InChIKeyWHKSUMDQQIOOTI-UHFFFAOYSA-N
XLogP3.65
TPSA112.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.66
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-8-[4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(6-amino-3-pyridinyl)-8-[4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one (CID 58094548) is 6-(6-amino-3-pyridinyl)-8-[4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-8-[4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-8-[4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one is Nc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(CCN4CCC(N5CCOCC5)CC4)cc3)n2)cn1.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-8-[4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is WHKSUMDQQIOOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O2/c31-27-6-3-23(20-33-27)26-19-22-7-11-32-30(38)28(22)29(35-26)34-24-4-1-21(2-5-24)8-12-36-13-9-25(10-14-36)37-15-17-39-18-16-37/h1-7,11,19-20,25H,8-10,12-18H2,(H2,31,33)(H,32,38)(H,34,35).
What are the key properties of 6-(6-amino-3-pyridinyl)-8-[4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one?
6-(6-amino-3-pyridinyl)-8-[4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 525.66 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-8-[4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).