N-[5-cyano-4-(oxolan-3-yloxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C21H18F3N5O4 — CID 166634694

IUPACN-[5-cyano-4-(oxolan-3-yloxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)cc1OC1CCOC1
InChIInChI=1S/C21H18F3N5O4/c22-21(23,24)18(30)15-4-3-12-2-1-6-29(19(12)27-15)20(31)28-17-8-16(13(9-25)10-26-17)33-14-5-7-32-11-14/h3-4,8,10,14H,1-2,5-7,11H2,(H,26,28,31)
InChIKeyIQWXTNRHUCRUNM-UHFFFAOYSA-N
MW461.40 g/mol
LogP3.25
Rot. Bonds4

About N-[5-cyano-4-(oxolan-3-yloxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(oxolan-3-yloxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 166634694) has the molecular formula C21H18F3N5O4 and a molecular weight of 461.40 g/mol. Its IUPAC name is N-[5-cyano-4-(oxolan-3-yloxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(oxolan-3-yloxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID166634694
Molecular FormulaC21H18F3N5O4
Molecular Weight461.40 g/mol
Exact Mass461.13
IUPAC NameN-[5-cyano-4-(oxolan-3-yloxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)cc1OC1CCOC1
InChIInChI=1S/C21H18F3N5O4/c22-21(23,24)18(30)15-4-3-12-2-1-6-29(19(12)27-15)20(31)28-17-8-16(13(9-25)10-26-17)33-14-5-7-32-11-14/h3-4,8,10,14H,1-2,5-7,11H2,(H,26,28,31)
InChIKeyIQWXTNRHUCRUNM-UHFFFAOYSA-N
XLogP3.25
TPSA117.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-cyano-4-(oxolan-3-yloxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

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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-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
N-[5-cyano-4-[(3S)-oxolan-3-yl]oxy-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036267

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(oxolan-3-yloxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(oxolan-3-yloxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 166634694) is N-[5-cyano-4-(oxolan-3-yloxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(oxolan-3-yloxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(oxolan-3-yloxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is N#Cc1cnc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)cc1OC1CCOC1.
What is the InChIKey of N-[5-cyano-4-(oxolan-3-yloxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is IQWXTNRHUCRUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O4/c22-21(23,24)18(30)15-4-3-12-2-1-6-29(19(12)27-15)20(31)28-17-8-16(13(9-25)10-26-17)33-14-5-7-32-11-14/h3-4,8,10,14H,1-2,5-7,11H2,(H,26,28,31).
What are the key properties of N-[5-cyano-4-(oxolan-3-yloxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(oxolan-3-yloxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 461.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(oxolan-3-yloxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 166634694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).