N-[(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-4-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-ylpyridine-3-carboxamide

C23H32FN3O2 — CID 123630577

IUPACN-[(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-4-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2C)nc(C(C)C)c1C(=O)NCC1=CC(C)C(F)C=C1
InChIInChI=1S/C23H32FN3O2/c1-14(2)22-21(23(28)25-12-18-6-7-19(24)15(3)10-18)16(4)11-20(26-22)27-8-9-29-13-17(27)5/h6-7,10-11,14-15,17,19H,8-9,12-13H2,1-5H3,(H,25,28)
InChIKeyUVPACCTXSXJYBT-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.94
Rot. Bonds5

About N-[(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-4-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-ylpyridine-3-carboxamide

N-[(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-4-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-ylpyridine-3-carboxamide (PubChem CID 123630577) has the molecular formula C23H32FN3O2 and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-4-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-4-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-ylpyridine-3-carboxamide
PubChem CID123630577
Molecular FormulaC23H32FN3O2
Molecular Weight401.53 g/mol
Exact Mass401.25
IUPAC NameN-[(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-4-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2C)nc(C(C)C)c1C(=O)NCC1=CC(C)C(F)C=C1
InChIInChI=1S/C23H32FN3O2/c1-14(2)22-21(23(28)25-12-18-6-7-19(24)15(3)10-18)16(4)11-20(26-22)27-8-9-29-13-17(27)5/h6-7,10-11,14-15,17,19H,8-9,12-13H2,1-5H3,(H,25,28)
InChIKeyUVPACCTXSXJYBT-UHFFFAOYSA-N
XLogP3.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-4-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-ylpyridine-3-carboxamide with MolForge

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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
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-ethylsulfanyl-N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-pyridine-3-carboxylic acid amide
CID 56952018
2-ethylsulfanyl-N-[(4-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-pyridine-3-carboxylic acid amide
CID 56962762
N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
2-cyclopropyl-N-[[(1S,2R)-2-hydroxy-cyclohexyl]-methyl]-4-methyl-6-morpholin-4-yl-pyridine-3-carboxylic acid amide
CID 70816915
6-((R)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118038598
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(2,6-dimethyl-morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118043167
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118043313
[6-(3-Methylanilino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 1441212

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-4-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-4-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-ylpyridine-3-carboxamide (CID 123630577) is N-[(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-4-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-4-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-4-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-ylpyridine-3-carboxamide is Cc1cc(N2CCOCC2C)nc(C(C)C)c1C(=O)NCC1=CC(C)C(F)C=C1.
What is the InChIKey of N-[(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-4-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-ylpyridine-3-carboxamide?
The InChIKey is UVPACCTXSXJYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O2/c1-14(2)22-21(23(28)25-12-18-6-7-19(24)15(3)10-18)16(4)11-20(26-22)27-8-9-29-13-17(27)5/h6-7,10-11,14-15,17,19H,8-9,12-13H2,1-5H3,(H,25,28).
What are the key properties of N-[(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-4-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-ylpyridine-3-carboxamide?
N-[(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-4-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-ylpyridine-3-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-4-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 123630577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).