N-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C20H23N5O4 — CID 118036235

IUPACN-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCCOc1cc(NC(=O)N2CCCc3ccc(C(OC)OC)nc32)ncc1C#N
InChIInChI=1S/C20H23N5O4/c1-4-29-16-10-17(22-12-14(16)11-21)24-20(26)25-9-5-6-13-7-8-15(23-18(13)25)19(27-2)28-3/h7-8,10,12,19H,4-6,9H2,1-3H3,(H,22,24,26)
InChIKeyLFQCAJWJMIAPLD-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.02
Rot. Bonds6

About N-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036235) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036235
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC NameN-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCCOc1cc(NC(=O)N2CCCc3ccc(C(OC)OC)nc32)ncc1C#N
InChIInChI=1S/C20H23N5O4/c1-4-29-16-10-17(22-12-14(16)11-21)24-20(26)25-9-5-6-13-7-8-15(23-18(13)25)19(27-2)28-3/h7-8,10,12,19H,4-6,9H2,1-3H3,(H,22,24,26)
InChIKeyLFQCAJWJMIAPLD-UHFFFAOYSA-N
XLogP3.02
TPSA109.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 155758545
N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036666
N-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 166632901
N-[5-cyano-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036518
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 140672975
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036356
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-[[formyl(methyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 134256035
6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methylpropoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036253
6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036406
6-[(4-acetylpiperazin-1-yl)methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036398
N-[5-cyano-4-[(2S)-2-methoxypropoxy]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036716
N-[5-cyano-4-[1-(methoxymethyl)cyclopropyl]oxy-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 145406809

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036235) is N-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CCOc1cc(NC(=O)N2CCCc3ccc(C(OC)OC)nc32)ncc1C#N.
What is the InChIKey of N-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is LFQCAJWJMIAPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-4-29-16-10-17(22-12-14(16)11-21)24-20(26)25-9-5-6-13-7-8-15(23-18(13)25)19(27-2)28-3/h7-8,10,12,19H,4-6,9H2,1-3H3,(H,22,24,26).
What are the key properties of N-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).