5-fluoro-6-[[3-(methylamino)oxan-4-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide

C21H23FN6O2 — CID 129192461

IUPAC5-fluoro-6-[[3-(methylamino)oxan-4-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide
SMILESCNC1COCCC1Nc1nc(Nc2cnc3ccccc3c2)c(C(N)=O)cc1F
InChIInChI=1S/C21H23FN6O2/c1-24-18-11-30-7-6-17(18)27-21-15(22)9-14(19(23)29)20(28-21)26-13-8-12-4-2-3-5-16(12)25-10-13/h2-5,8-10,17-18,24H,6-7,11H2,1H3,(H2,23,29)(H2,26,27,28)
InChIKeyZNJFGIPTWBNHOI-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.40
Rot. Bonds6

About 5-fluoro-6-[[3-(methylamino)oxan-4-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide

5-fluoro-6-[[3-(methylamino)oxan-4-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide (PubChem CID 129192461) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 5-fluoro-6-[[3-(methylamino)oxan-4-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-[[3-(methylamino)oxan-4-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide
PubChem CID129192461
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name5-fluoro-6-[[3-(methylamino)oxan-4-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide
SMILESCNC1COCCC1Nc1nc(Nc2cnc3ccccc3c2)c(C(N)=O)cc1F
InChIInChI=1S/C21H23FN6O2/c1-24-18-11-30-7-6-17(18)27-21-15(22)9-14(19(23)29)20(28-21)26-13-8-12-4-2-3-5-16(12)25-10-13/h2-5,8-10,17-18,24H,6-7,11H2,1H3,(H2,23,29)(H2,26,27,28)
InChIKeyZNJFGIPTWBNHOI-UHFFFAOYSA-N
XLogP2.40
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

8-amino-2-(3-fluorophenyl)-N-(1-propanoylazetidin-3-yl)-1,7-naphthyridine-5-carboxamide
CID 89730033
8-amino-2-(3-fluorophenyl)-N-(1-(methylcarbamoyl)azetidin-3-yl)-1,7-naphthyridine-5-carboxamide
CID 89730039
8-amino-2-(3-fluorophenyl)-N-(trans-3-hydroxycyclobutyl)-1,7-naphthyridine-5-carboxamide
CID 89730047
8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129029978
8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129029979
8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030093
N-[2-(dimethylamino)ethyl]-8-[(3-fluoro-2-methylanilino)methyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030181
7-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(3-methyl-1H-indol-7-yl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136056548
8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582701
2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one
CID 59507731
4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide
CID 71621001
8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129029965

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[[3-(methylamino)oxan-4-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-6-[[3-(methylamino)oxan-4-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide (CID 129192461) is 5-fluoro-6-[[3-(methylamino)oxan-4-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-6-[[3-(methylamino)oxan-4-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-6-[[3-(methylamino)oxan-4-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide is CNC1COCCC1Nc1nc(Nc2cnc3ccccc3c2)c(C(N)=O)cc1F.
What is the InChIKey of 5-fluoro-6-[[3-(methylamino)oxan-4-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
The InChIKey is ZNJFGIPTWBNHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-24-18-11-30-7-6-17(18)27-21-15(22)9-14(19(23)29)20(28-21)26-13-8-12-4-2-3-5-16(12)25-10-13/h2-5,8-10,17-18,24H,6-7,11H2,1H3,(H2,23,29)(H2,26,27,28).
What are the key properties of 5-fluoro-6-[[3-(methylamino)oxan-4-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
5-fluoro-6-[[3-(methylamino)oxan-4-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[[3-(methylamino)oxan-4-yl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 129192461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).