6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide

C30H31N5O4 — CID 145351765

IUPAC6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5CCN(CCO)CC5)cc4)c3)ccc12
InChIInChI=1S/C30H31N5O4/c1-31-30(38)27-4-2-3-22-19-24(9-10-26(22)27)39-25-11-12-32-28(20-25)33-29(37)21-5-7-23(8-6-21)35-15-13-34(14-16-35)17-18-36/h2-12,19-20,36H,13-18H2,1H3,(H,31,38)(H,32,33,37)
InChIKeyAISWQGLURAAAKE-UHFFFAOYSA-N
MW525.61 g/mol
LogP3.75
Rot. Bonds8

About 6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide

6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide (PubChem CID 145351765) has the molecular formula C30H31N5O4 and a molecular weight of 525.61 g/mol. Its IUPAC name is 6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide
PubChem CID145351765
Molecular FormulaC30H31N5O4
Molecular Weight525.61 g/mol
Exact Mass525.24
IUPAC Name6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5CCN(CCO)CC5)cc4)c3)ccc12
InChIInChI=1S/C30H31N5O4/c1-31-30(38)27-4-2-3-22-19-24(9-10-26(22)27)39-25-11-12-32-28(20-25)33-29(37)21-5-7-23(8-6-21)35-15-13-34(14-16-35)17-18-36/h2-12,19-20,36H,13-18H2,1H3,(H,31,38)(H,32,33,37)
InChIKeyAISWQGLURAAAKE-UHFFFAOYSA-N
XLogP3.75
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.61
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide with MolForge

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Related Compounds

Sonidegib
CID 24775005
Risimtinib
CID 145351764
Benzamide,3-(1-amino-1-methylethyl)-N-[(2R)-1,2,3,4-tetrahydro-7-[(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-4-yl)oxy]-2-naphthalenyl]-5-(trifluoromethyl)-
CID 50992247
N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351804
6-((6-acetamidopyrimidin-4-yl)oxy)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-1-naphthamide
CID 67406169
3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazepan-1-yl]methyl]-N-(5-methyl-2-pyridyl)benzamide
CID 467731
3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazepan-1-yl]methyl]-N-(2-pyridyl)benzamide
CID 467733
5-[4-[2,3-Bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2-pyridinyl]phenanthridin-6-one
CID 10768238
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 44586114
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 44586367
N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-2-[[2-(4-propan-2-yloxyphenyl)benzoyl]amino]quinoline-6-carboxamide
CID 71458258
3-ethoxy-N-pyridin-2-ylnaphthalene-2-carboxamide
CID 5302933

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide?
The IUPAC name of 6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide (CID 145351765) is 6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide.
What is the SMILES notation for 6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide?
The canonical SMILES for 6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide is CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5CCN(CCO)CC5)cc4)c3)ccc12.
What is the InChIKey of 6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide?
The InChIKey is AISWQGLURAAAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O4/c1-31-30(38)27-4-2-3-22-19-24(9-10-26(22)27)39-25-11-12-32-28(20-25)33-29(37)21-5-7-23(8-6-21)35-15-13-34(14-16-35)17-18-36/h2-12,19-20,36H,13-18H2,1H3,(H,31,38)(H,32,33,37).
What are the key properties of 6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide?
6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide has a molecular weight of 525.61 g/mol, XLogP of 3.75, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 145351765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).