N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;ethane

C25H31N3O4 — CID 143010967

IUPACN-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;ethane
SMILESCC.COc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cccnc32)cc1
InChIInChI=1S/C23H25N3O4.C2H6/c1-30-17-11-9-15(10-12-17)14-26-21-18(8-5-13-24-21)20(27)19(23(26)29)22(28)25-16-6-3-2-4-7-16;1-2/h5,8-13,16,27H,2-4,6-7,14H2,1H3,(H,25,28);1-2H3
InChIKeyTUACDICHHUQEBJ-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.25
Rot. Bonds5

About N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;ethane

N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;ethane (PubChem CID 143010967) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;ethane.

Molecular Properties

Compound NameN-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;ethane
PubChem CID143010967
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;ethane
SMILESCC.COc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cccnc32)cc1
InChIInChI=1S/C23H25N3O4.C2H6/c1-30-17-11-9-15(10-12-17)14-26-21-18(8-5-13-24-21)20(27)19(23(26)29)22(28)25-16-6-3-2-4-7-16;1-2/h5,8-13,16,27H,2-4,6-7,14H2,1H3,(H,25,28);1-2H3
InChIKeyTUACDICHHUQEBJ-UHFFFAOYSA-N
XLogP4.25
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrilamine Maleate
CID 5284451
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
1-(4-fluorobenzyl)-4-hydroxy-N-((1r,4r)-4-methylcyclohexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 118735890
2-[(2-Methylaminoethyl)(P-Methoxybenzyl)Amino]Pyridine
CID 153224
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-N-(2-methoxyphenyl)-2-oxo-1-phenyl-
CID 54715430
2-[(4-methoxybenzoyl)amino]-N-(2-pyridinyl)benzamide
CID 759561
(2E)-2-cyano-3-(4-methoxyphenyl)-N-(pyridin-2-yl)prop-2-enamide
CID 948752
3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one
CID 2868335
(E)-3-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 24241463
4-hydroxy-1-isopentyl-3-[7-[(4-methoxyphenyl)methylsulfamoylamino]-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl]-1,8-naphthyridin-2-one
CID 135410993
1-benzyl-4-hydroxy-3-(7-methoxy-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one
CID 135541371
6-(4-methoxybenzylamino)-N-(2-aminophenyl)nicotinamide
CID 9968179

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;ethane?
The IUPAC name of N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;ethane (CID 143010967) is N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;ethane.
What is the SMILES notation for N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;ethane?
The canonical SMILES for N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;ethane is CC.COc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cccnc32)cc1.
What is the InChIKey of N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;ethane?
The InChIKey is TUACDICHHUQEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4.C2H6/c1-30-17-11-9-15(10-12-17)14-26-21-18(8-5-13-24-21)20(27)19(23(26)29)22(28)25-16-6-3-2-4-7-16;1-2/h5,8-13,16,27H,2-4,6-7,14H2,1H3,(H,25,28);1-2H3.
What are the key properties of N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;ethane?
N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;ethane has a molecular weight of 437.54 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide;ethane is sourced from PubChem (CID 143010967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).