6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one

C35H38N6O5 — CID 78324339

IUPAC6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one
SMILESCn1cc(-c2cccc(N3CCc4cc(C(C)(C)C)ncc4C3=O)c2CO)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O
InChIInChI=1S/C35H38N6O5/c1-35(2,3)30-17-22-10-11-41(33(44)26(22)19-36-30)29-7-5-6-25(27(29)21-42)24-16-28(34(45)39(4)20-24)38-31-9-8-23(18-37-31)32(43)40-12-14-46-15-13-40/h5-9,16-20,42H,10-15,21H2,1-4H3,(H,37,38)
InChIKeyAOFGEFVDONTWCK-UHFFFAOYSA-N
MW622.73 g/mol
LogP4.05
Rot. Bonds6

About 6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one

6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one (PubChem CID 78324339) has the molecular formula C35H38N6O5 and a molecular weight of 622.73 g/mol. Its IUPAC name is 6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one
PubChem CID78324339
Molecular FormulaC35H38N6O5
Molecular Weight622.73 g/mol
Exact Mass622.29
IUPAC Name6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one
SMILESCn1cc(-c2cccc(N3CCc4cc(C(C)(C)C)ncc4C3=O)c2CO)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O
InChIInChI=1S/C35H38N6O5/c1-35(2,3)30-17-22-10-11-41(33(44)26(22)19-36-30)29-7-5-6-25(27(29)21-42)24-16-28(34(45)39(4)20-24)38-31-9-8-23(18-37-31)32(43)40-12-14-46-15-13-40/h5-9,16-20,42H,10-15,21H2,1-4H3,(H,37,38)
InChIKeyAOFGEFVDONTWCK-UHFFFAOYSA-N
XLogP4.05
TPSA129.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.73
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one?
The IUPAC name of 6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one (CID 78324339) is 6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one?
The canonical SMILES for 6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one is Cn1cc(-c2cccc(N3CCc4cc(C(C)(C)C)ncc4C3=O)c2CO)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.
What is the InChIKey of 6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one?
The InChIKey is AOFGEFVDONTWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N6O5/c1-35(2,3)30-17-22-10-11-41(33(44)26(22)19-36-30)29-7-5-6-25(27(29)21-42)24-16-28(34(45)39(4)20-24)38-31-9-8-23(18-37-31)32(43)40-12-14-46-15-13-40/h5-9,16-20,42H,10-15,21H2,1-4H3,(H,37,38).
What are the key properties of 6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one?
6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one has a molecular weight of 622.73 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydro-2,7-naphthyridin-1-one is sourced from PubChem (CID 78324339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).