N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride

C21H25ClN4O3 — CID 10112640

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride
SMILESCCOc1ccc2[nH]cc(C(=O)NCc3ccc(CN(C)C)cc3)c(=O)c2n1.Cl
InChIInChI=1S/C21H24N4O3.ClH/c1-4-28-18-10-9-17-19(24-18)20(26)16(12-22-17)21(27)23-11-14-5-7-15(8-6-14)13-25(2)3;/h5-10,12H,4,11,13H2,1-3H3,(H,22,26)(H,23,27);1H
InChIKeyJYVLVAYTUBLCTE-UHFFFAOYSA-N
MW416.91 g/mol
LogP2.74
Rot. Bonds7

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride (PubChem CID 10112640) has the molecular formula C21H25ClN4O3 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride
PubChem CID10112640
Molecular FormulaC21H25ClN4O3
Molecular Weight416.91 g/mol
Exact Mass416.16
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride
SMILESCCOc1ccc2[nH]cc(C(=O)NCc3ccc(CN(C)C)cc3)c(=O)c2n1.Cl
InChIInChI=1S/C21H24N4O3.ClH/c1-4-28-18-10-9-17-19(24-18)20(26)16(12-22-17)21(27)23-11-14-5-7-15(8-6-14)13-25(2)3;/h5-10,12H,4,11,13H2,1-3H3,(H,22,26)(H,23,27);1H
InChIKeyJYVLVAYTUBLCTE-UHFFFAOYSA-N
XLogP2.74
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-4-oxo-6-pyrrolidin-1-yl-1H-1,5-naphthyridine-3-carboxamide
CID 10271820
N,6-dibenzyl-4-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 10109646
6-butoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid
CID 604825
2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide
CID 22722030
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26447386
N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide;2-(5-bromo-1H-indol-3-yl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]quinoline-4-carboxamide
CID 161116274
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 26953131
6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide
CID 68629889
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 31908758
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473034
4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 60553799

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride (CID 10112640) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride is CCOc1ccc2[nH]cc(C(=O)NCc3ccc(CN(C)C)cc3)c(=O)c2n1.Cl.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride?
The InChIKey is JYVLVAYTUBLCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3.ClH/c1-4-28-18-10-9-17-19(24-18)20(26)16(12-22-17)21(27)23-11-14-5-7-15(8-6-14)13-25(2)3;/h5-10,12H,4,11,13H2,1-3H3,(H,22,26)(H,23,27);1H.
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride has a molecular weight of 416.91 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 10112640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).