2-(4-ethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1,7-naphthyridine-4-carboxamide

C26H33N5O2 — CID 176957357

IUPAC2-(4-ethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1,7-naphthyridine-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCCCCN3CCN(C)CC3)c3ccncc3n2)cc1
InChIInChI=1S/C26H33N5O2/c1-3-33-21-8-6-20(7-9-21)24-18-23(22-10-12-27-19-25(22)29-24)26(32)28-11-4-5-13-31-16-14-30(2)15-17-31/h6-10,12,18-19H,3-5,11,13-17H2,1-2H3,(H,28,32)
InChIKeyILRJKKRPLDROAV-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.45
Rot. Bonds9

About 2-(4-ethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1,7-naphthyridine-4-carboxamide

2-(4-ethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1,7-naphthyridine-4-carboxamide (PubChem CID 176957357) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1,7-naphthyridine-4-carboxamide
PubChem CID176957357
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name2-(4-ethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1,7-naphthyridine-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCCCCN3CCN(C)CC3)c3ccncc3n2)cc1
InChIInChI=1S/C26H33N5O2/c1-3-33-21-8-6-20(7-9-21)24-18-23(22-10-12-27-19-25(22)29-24)26(32)28-11-4-5-13-31-16-14-30(2)15-17-31/h6-10,12,18-19H,3-5,11,13-17H2,1-2H3,(H,28,32)
InChIKeyILRJKKRPLDROAV-UHFFFAOYSA-N
XLogP3.45
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4292431
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
2-(3-methoxyphenyl)-N-[3-[4-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]piperazin-1-yl]propyl]quinoline-4-carboxamide
CID 4139661
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
2-(4-ethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide
CID 5095371
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976
2-(furan-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 78813275
2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 998766
N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxamide
CID 3443763
N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide
CID 135372997
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1,7-naphthyridine-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1,7-naphthyridine-4-carboxamide (CID 176957357) is 2-(4-ethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1,7-naphthyridine-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1,7-naphthyridine-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1,7-naphthyridine-4-carboxamide is CCOc1ccc(-c2cc(C(=O)NCCCCN3CCN(C)CC3)c3ccncc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1,7-naphthyridine-4-carboxamide?
The InChIKey is ILRJKKRPLDROAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-3-33-21-8-6-20(7-9-21)24-18-23(22-10-12-27-19-25(22)29-24)26(32)28-11-4-5-13-31-16-14-30(2)15-17-31/h6-10,12,18-19H,3-5,11,13-17H2,1-2H3,(H,28,32).
What are the key properties of 2-(4-ethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1,7-naphthyridine-4-carboxamide?
2-(4-ethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1,7-naphthyridine-4-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)butyl]-1,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 176957357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).