3-(cyclobutylamino)-7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid

C19H24F3N3O5 — CID 118742555

IUPAC3-(cyclobutylamino)-7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1c(NC2CCC2)ncc2c1CCN(C1CCOC1)C2
InChIInChI=1S/C17H23N3O3.C2HF3O2/c21-17(22)15-14-4-6-20(13-5-7-23-10-13)9-11(14)8-18-16(15)19-12-2-1-3-12;3-2(4,5)1(6)7/h8,12-13H,1-7,9-10H2,(H,18,19)(H,21,22);(H,6,7)
InChIKeyRWNSOHLMDCXYRH-UHFFFAOYSA-N
MW431.41 g/mol
LogP2.52
Rot. Bonds4

About 3-(cyclobutylamino)-7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid

3-(cyclobutylamino)-7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 118742555) has the molecular formula C19H24F3N3O5 and a molecular weight of 431.41 g/mol. Its IUPAC name is 3-(cyclobutylamino)-7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(cyclobutylamino)-7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID118742555
Molecular FormulaC19H24F3N3O5
Molecular Weight431.41 g/mol
Exact Mass431.17
IUPAC Name3-(cyclobutylamino)-7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1c(NC2CCC2)ncc2c1CCN(C1CCOC1)C2
InChIInChI=1S/C17H23N3O3.C2HF3O2/c21-17(22)15-14-4-6-20(13-5-7-23-10-13)9-11(14)8-18-16(15)19-12-2-1-3-12;3-2(4,5)1(6)7/h8,12-13H,1-7,9-10H2,(H,18,19)(H,21,22);(H,6,7)
InChIKeyRWNSOHLMDCXYRH-UHFFFAOYSA-N
XLogP2.52
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(cyclobutylamino)-7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

3-(cyclobutylamino)-7-(2-methoxyethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155843551
5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid
CID 167971128
N-cyclobutyl-2-[4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 171695745
N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyridin-3-ylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 171693574
N-[(5R,9S)-2-(oxan-4-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155855812
3-methyl-7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 118742726
[2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155832394
2-(oxan-3-yl)-1,3-dihydroisoindole-5-carboxylic acid
CID 107135412
2-(oxolan-3-yl)-5-(2-pyrrolidin-1-ylethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 131657984
(4-methylpiperazin-1-yl)-[5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 118738799
2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid
CID 115033816
N-ethyl-N-methyl-7-(oxan-4-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine;2,2,2-trifluoroacetic acid
CID 155857079

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylamino)-7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(cyclobutylamino)-7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid (CID 118742555) is 3-(cyclobutylamino)-7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(cyclobutylamino)-7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(cyclobutylamino)-7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)c1c(NC2CCC2)ncc2c1CCN(C1CCOC1)C2.
What is the InChIKey of 3-(cyclobutylamino)-7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is RWNSOHLMDCXYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.C2HF3O2/c21-17(22)15-14-4-6-20(13-5-7-23-10-13)9-11(14)8-18-16(15)19-12-2-1-3-12;3-2(4,5)1(6)7/h8,12-13H,1-7,9-10H2,(H,18,19)(H,21,22);(H,6,7).
What are the key properties of 3-(cyclobutylamino)-7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid?
3-(cyclobutylamino)-7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 431.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylamino)-7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).