N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C20H18F3N5O4 — CID 118036639

IUPACN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(C(F)(F)F)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C20H18F3N5O4/c1-31-5-6-32-16-8-17(25-10-13(16)9-24)27-19(30)28-4-2-3-12-7-14(20(21,22)23)15(11-29)26-18(12)28/h7-8,10-11H,2-6H2,1H3,(H,25,27,30)
InChIKeyXNYAZIURZHFKEG-UHFFFAOYSA-N
MW449.39 g/mol
LogP3.19
Rot. Bonds6

About N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036639) has the molecular formula C20H18F3N5O4 and a molecular weight of 449.39 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036639
Molecular FormulaC20H18F3N5O4
Molecular Weight449.39 g/mol
Exact Mass449.13
IUPAC NameN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(C(F)(F)F)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C20H18F3N5O4/c1-31-5-6-32-16-8-17(25-10-13(16)9-24)27-19(30)28-4-2-3-12-7-14(20(21,22)23)15(11-29)26-18(12)28/h7-8,10-11H,2-6H2,1H3,(H,25,27,30)
InChIKeyXNYAZIURZHFKEG-UHFFFAOYSA-N
XLogP3.19
TPSA117.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[[methyl(methylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036169
N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036278
N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-6-(difluoromethyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036468
N-(5-cyano-4-(2-methoxyethoxyl)pyridin-2-yl)-7-formyl-6-((4-methyl-2-oxopiperazin-1-yl)methyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
CID 118036821
N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036877
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(3S)-3-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 162648167
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 162654770
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4R)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 162667418
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 162672012
6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036192
N-(5-cyano-4-methoxypyridin-2-yl)-7-formyl-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
CID 118036202
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(methoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036247

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036639) is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCOc1cc(NC(=O)N2CCCc3cc(C(F)(F)F)c(C=O)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is XNYAZIURZHFKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O4/c1-31-5-6-32-16-8-17(25-10-13(16)9-24)27-19(30)28-4-2-3-12-7-14(20(21,22)23)15(11-29)26-18(12)28/h7-8,10-11H,2-6H2,1H3,(H,25,27,30).
What are the key properties of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 449.39 g/mol, XLogP of 3.19, 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-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).