N-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide

C20H24F2N4O — CID 167121246

IUPACN-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
SMILESCCC(C)N1CC(NC(=O)c2c(F)cncc2Nc2ccc(C)cc2F)C1
InChIInChI=1S/C20H24F2N4O/c1-4-13(3)26-10-14(11-26)24-20(27)19-16(22)8-23-9-18(19)25-17-6-5-12(2)7-15(17)21/h5-9,13-14,25H,4,10-11H2,1-3H3,(H,24,27)
InChIKeyNJGMCPQJVWQHTK-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.62
Rot. Bonds6

About N-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide

N-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide (PubChem CID 167121246) has the molecular formula C20H24F2N4O and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
PubChem CID167121246
Molecular FormulaC20H24F2N4O
Molecular Weight374.44 g/mol
Exact Mass374.19
IUPAC NameN-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
SMILESCCC(C)N1CC(NC(=O)c2c(F)cncc2Nc2ccc(C)cc2F)C1
InChIInChI=1S/C20H24F2N4O/c1-4-13(3)26-10-14(11-26)24-20(27)19-16(22)8-23-9-18(19)25-17-6-5-12(2)7-15(17)21/h5-9,13-14,25H,4,10-11H2,1-3H3,(H,24,27)
InChIKeyNJGMCPQJVWQHTK-UHFFFAOYSA-N
XLogP3.62
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
CID 167121421
3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
CID 167121267
tert-butyl 3-[[3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]azetidine-1-carboxylate
CID 164538783
4-dimethylphosphoryl-5-fluoro-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174670
3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide
CID 143220406
N-[(1R,2S,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
CID 44819281
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174690
N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide
CID 43088822
2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide
CID 143220419
2-[(2S)-2,3-dihydroxypropyl]-8-(2-fluoro-4-methylanilino)-2,6-naphthyridin-1-one
CID 163456255
1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione
CID 43638252

Frequently Asked Questions

What is the IUPAC name of N-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide (CID 167121246) is N-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide is CCC(C)N1CC(NC(=O)c2c(F)cncc2Nc2ccc(C)cc2F)C1.
What is the InChIKey of N-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide?
The InChIKey is NJGMCPQJVWQHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O/c1-4-13(3)26-10-14(11-26)24-20(27)19-16(22)8-23-9-18(19)25-17-6-5-12(2)7-15(17)21/h5-9,13-14,25H,4,10-11H2,1-3H3,(H,24,27).
What are the key properties of N-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide?
N-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 167121246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).