6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one

C23H27N5O2 — CID 123142080

IUPAC6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESC=C(NOC)c1cc2cc[nH]c(=O)c2c(Nc2ccc(C3CCNCC3)c(C)c2)n1
InChIInChI=1S/C23H27N5O2/c1-14-12-18(4-5-19(14)16-6-9-24-10-7-16)26-22-21-17(8-11-25-23(21)29)13-20(27-22)15(2)28-30-3/h4-5,8,11-13,16,24,28H,2,6-7,9-10H2,1,3H3,(H,25,29)(H,26,27)
InChIKeySGGAXXBIBZSJHO-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.56
Rot. Bonds6

About 6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one

6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 123142080) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID123142080
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESC=C(NOC)c1cc2cc[nH]c(=O)c2c(Nc2ccc(C3CCNCC3)c(C)c2)n1
InChIInChI=1S/C23H27N5O2/c1-14-12-18(4-5-19(14)16-6-9-24-10-7-16)26-22-21-17(8-11-25-23(21)29)13-20(27-22)15(2)28-30-3/h4-5,8,11-13,16,24,28H,2,6-7,9-10H2,1,3H3,(H,25,29)(H,26,27)
InChIKeySGGAXXBIBZSJHO-UHFFFAOYSA-N
XLogP3.56
TPSA91.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2-aminopyrimidin-5-yl)-8-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094116
6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 58093719
3-methoxy-2,2-dimethylpropanoic acid;8-[4-[1-(3-methoxy-2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylanilino]-6-(6-methylpyrazin-2-yl)-2H-2,7-naphthyridin-1-one;8-(3-methyl-4-piperidin-4-ylanilino)-6-(6-methylpyrazin-2-yl)-2H-2,7-naphthyridin-1-one
CID 161345597
6-(2-methoxypyrimidin-5-yl)-8-[4-piperidin-4-yl-3-(trifluoromethyl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094475
methyl 2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanoate
CID 58167458
2-methoxy-2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanamide
CID 123875847
tert-butyl 4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidine-1-carboxylate
CID 66925689
6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094107
3-[4-[4-[[3-(2-aminopyrimidin-4-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanenitrile
CID 58167296
6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(1-pentanoylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 58093953
8-[4-[1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-4-yl]-3-methylanilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
CID 58166700
6-(1-methylpyrazol-4-yl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094659

Frequently Asked Questions

What is the IUPAC name of 6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 123142080) is 6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one is C=C(NOC)c1cc2cc[nH]c(=O)c2c(Nc2ccc(C3CCNCC3)c(C)c2)n1.
What is the InChIKey of 6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is SGGAXXBIBZSJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-14-12-18(4-5-19(14)16-6-9-24-10-7-16)26-22-21-17(8-11-25-23(21)29)13-20(27-22)15(2)28-30-3/h4-5,8,11-13,16,24,28H,2,6-7,9-10H2,1,3H3,(H,25,29)(H,26,27).
What are the key properties of 6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 405.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(methoxyamino)ethenyl]-8-(3-methyl-4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 123142080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).