4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide

C21H24N4O — CID 155552713

IUPAC4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide
SMILESCCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3cccnc3)cc12
InChIInChI=1S/C21H24N4O/c1-3-14(4-2)11-25-20-17-10-15(16-6-5-9-23-12-16)7-8-19(17)24-13-18(20)21(22)26/h5-10,12-14H,3-4,11H2,1-2H3,(H2,22,26)(H,24,25)
InChIKeyKHOSFSGTKQFGDP-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.24
Rot. Bonds7

About 4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide

4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide (PubChem CID 155552713) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide
PubChem CID155552713
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide
SMILESCCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3cccnc3)cc12
InChIInChI=1S/C21H24N4O/c1-3-14(4-2)11-25-20-17-10-15(16-6-5-9-23-12-16)7-8-19(17)24-13-18(20)21(22)26/h5-10,12-14H,3-4,11H2,1-2H3,(H2,22,26)(H,24,25)
InChIKeyKHOSFSGTKQFGDP-UHFFFAOYSA-N
XLogP4.24
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide
CID 155554099
1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide
CID 162527377
2-ethoxy-4-pyridin-3-ylbenzamide
CID 155568101
2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid
CID 43669304
2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid
CID 90916200
4-anilino-6-(1-ethylpyrazol-3-yl)quinoline-3-carboxamide
CID 156547228
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride
CID 20982491
4-[[(1R)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(hydroxymethyl)-3-pyridinyl]quinoline-3-carboxamide
CID 130470728
4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide
CID 155781980
methyl 1-(2-cyanoprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxylate
CID 162526568
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate
CID 1188199

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide?
The IUPAC name of 4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide (CID 155552713) is 4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide?
The canonical SMILES for 4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide is CCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3cccnc3)cc12.
What is the InChIKey of 4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide?
The InChIKey is KHOSFSGTKQFGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-14(4-2)11-25-20-17-10-15(16-6-5-9-23-12-16)7-8-19(17)24-13-18(20)21(22)26/h5-10,12-14H,3-4,11H2,1-2H3,(H2,22,26)(H,24,25).
What are the key properties of 4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide?
4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide is sourced from PubChem (CID 155552713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).