6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide

C20H21FN6O2 — CID 123761741

IUPAC6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide
SMILESCCC(C(N)=O)N(C)c1nc(Nc2cccc3ncccc23)c(C(N)=O)cc1F
InChIInChI=1S/C20H21FN6O2/c1-3-16(18(23)29)27(2)20-13(21)10-12(17(22)28)19(26-20)25-15-8-4-7-14-11(15)6-5-9-24-14/h4-10,16H,3H2,1-2H3,(H2,22,28)(H2,23,29)(H,25,26)
InChIKeyTULOANGNLZQTMJ-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.31
Rot. Bonds7

About 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide

6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide (PubChem CID 123761741) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide
PubChem CID123761741
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide
SMILESCCC(C(N)=O)N(C)c1nc(Nc2cccc3ncccc23)c(C(N)=O)cc1F
InChIInChI=1S/C20H21FN6O2/c1-3-16(18(23)29)27(2)20-13(21)10-12(17(22)28)19(26-20)25-15-8-4-7-14-11(15)6-5-9-24-14/h4-10,16H,3H2,1-2H3,(H2,22,28)(H2,23,29)(H,25,26)
InChIKeyTULOANGNLZQTMJ-UHFFFAOYSA-N
XLogP2.31
TPSA127.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide with MolForge

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Related Compounds

6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide
CID 67775101
6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 123968917
6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
CID 123570338
6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide
CID 123617312
5-amino-2-(quinolin-5-ylamino)benzamide
CID 61306152
(1-amino-1-oxobutan-2-yl)-[5-carbamoyl-4-(quinolin-7-ylamino)pyrimidin-2-yl]-dimethylazanium
CID 123760565
5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide
CID 129192285
3-amino-4-(quinolin-5-ylamino)benzamide
CID 43448403
2-(quinolin-4-ylamino)benzamide;dihydrochloride
CID 143657459
6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145076
1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea
CID 51928178
6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 67509066

Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide (CID 123761741) is 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide is CCC(C(N)=O)N(C)c1nc(Nc2cccc3ncccc23)c(C(N)=O)cc1F.
What is the InChIKey of 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide?
The InChIKey is TULOANGNLZQTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-3-16(18(23)29)27(2)20-13(21)10-12(17(22)28)19(26-20)25-15-8-4-7-14-11(15)6-5-9-24-14/h4-10,16H,3H2,1-2H3,(H2,22,28)(H2,23,29)(H,25,26).
What are the key properties of 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide?
6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-5-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 123761741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).