2-butan-2-yl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide

C23H30FN3O2 — CID 67286670

IUPAC2-butan-2-yl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide
SMILESCCC(C)c1nc(N2CCOC[C@H]2C)cc(C)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H30FN3O2/c1-5-15(2)22-21(23(28)25-13-18-6-8-19(24)9-7-18)16(3)12-20(26-22)27-10-11-29-14-17(27)4/h6-9,12,15,17H,5,10-11,13-14H2,1-4H3,(H,25,28)/t15?,17-/m1/s1
InChIKeyYUAAPTMCQMLUIS-OMOCHNIRSA-N
MW399.51 g/mol
LogP4.20
Rot. Bonds6

About 2-butan-2-yl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide

2-butan-2-yl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide (PubChem CID 67286670) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is 2-butan-2-yl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-butan-2-yl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide
PubChem CID67286670
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC Name2-butan-2-yl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide
SMILESCCC(C)c1nc(N2CCOC[C@H]2C)cc(C)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H30FN3O2/c1-5-15(2)22-21(23(28)25-13-18-6-8-19(24)9-7-18)16(3)12-20(26-22)27-10-11-29-14-17(27)4/h6-9,12,15,17H,5,10-11,13-14H2,1-4H3,(H,25,28)/t15?,17-/m1/s1
InChIKeyYUAAPTMCQMLUIS-OMOCHNIRSA-N
XLogP4.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-butan-2-yl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 44180013
2-({4-Hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
CID 135406328
8-(4-morpholin-4-ylanilino)-6-phenyl-2H-2,7-naphthyridin-1-one
CID 44193817
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086899
2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 145981275
2-Butylamino-6-phenyl-4-trifluoromethyl-nicotinamide
CID 1904911
(S)-9-fluoro-6-(3-methylbutan-2-ylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 25096020
6-(cyclopropyl(1-methylpiperidin-4-yl)amino)-9-fluorobenzo[c][1,6]naphthyridin-1(2H)-one
CID 25097027
2-(3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]acetamide
CID 25123380
2-(2,6-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]acetamide
CID 25123382
2-(2,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]acetamide
CID 25123708
2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 25123711

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-butan-2-yl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide (CID 67286670) is 2-butan-2-yl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-butan-2-yl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-butan-2-yl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide is CCC(C)c1nc(N2CCOC[C@H]2C)cc(C)c1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-butan-2-yl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide?
The InChIKey is YUAAPTMCQMLUIS-OMOCHNIRSA-N. The full InChI is InChI=1S/C23H30FN3O2/c1-5-15(2)22-21(23(28)25-13-18-6-8-19(24)9-7-18)16(3)12-20(26-22)27-10-11-29-14-17(27)4/h6-9,12,15,17H,5,10-11,13-14H2,1-4H3,(H,25,28)/t15?,17-/m1/s1.
What are the key properties of 2-butan-2-yl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide?
2-butan-2-yl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide has a molecular weight of 399.51 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67286670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).