4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(oxan-4-ylamino)thiophene-3-carboxamide

C19H22F3N3O3S — CID 144740455

IUPAC4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(oxan-4-ylamino)thiophene-3-carboxamide
SMILESCc1cc(C(F)(F)F)c(CNC(=O)c2csc(NC3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C19H22F3N3O3S/c1-10-7-15(19(20,21)22)13(17(27)24-10)8-23-16(26)14-9-29-18(11(14)2)25-12-3-5-28-6-4-12/h7,9,12,25H,3-6,8H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyIQZPCWILQQUONT-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.59
Rot. Bonds5

About 4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(oxan-4-ylamino)thiophene-3-carboxamide

4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(oxan-4-ylamino)thiophene-3-carboxamide (PubChem CID 144740455) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is 4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(oxan-4-ylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(oxan-4-ylamino)thiophene-3-carboxamide
PubChem CID144740455
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC Name4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(oxan-4-ylamino)thiophene-3-carboxamide
SMILESCc1cc(C(F)(F)F)c(CNC(=O)c2csc(NC3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C19H22F3N3O3S/c1-10-7-15(19(20,21)22)13(17(27)24-10)8-23-16(26)14-9-29-18(11(14)2)25-12-3-5-28-6-4-12/h7,9,12,25H,3-6,8H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyIQZPCWILQQUONT-UHFFFAOYSA-N
XLogP3.59
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-3H-pyridin-3-yl]methyl]thiophene-3-carboxamide
CID 131953996
5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-methyl-N-((1,4,6-trimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)thiophene-3-carboxamide
CID 86763596
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide
CID 131953988
N-((2,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4-methylthiophene-3-carboxamide
CID 134819730
5-(((trans)-4-(dimethylamino)cyclohexyl)(ethyl)amino)-4-methyl-N-((4-methyl-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl)methyl)thiophene-3-carboxamide
CID 86763363
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl-(3-fluoropiperidin-4-yl)amino]-4-methylthiophene-3-carboxamide
CID 86764255
5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide
CID 86765027
4-[[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-ethylamino]-3-fluoropiperidine-1-carboxylic acid
CID 117679729
tert-butyl 4-[[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-ethylamino]-3-fluoropiperidine-1-carboxylate
CID 117679888
5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[[2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide
CID 123971462
N-[(2,4-dimethyl-6-oxocyclohexa-1,3-dien-1-yl)methyl]-5-[ethyl-(3-fluoropiperidin-4-yl)amino]-4-methylthiophene-3-carboxamide
CID 157316428
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(((cis)-4-(dimethylamino)cyclohexyl)(ethyl)amino)-4-methylthiophene-3-carboxamide
CID 86298749

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(oxan-4-ylamino)thiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(oxan-4-ylamino)thiophene-3-carboxamide (CID 144740455) is 4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(oxan-4-ylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(oxan-4-ylamino)thiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(oxan-4-ylamino)thiophene-3-carboxamide is Cc1cc(C(F)(F)F)c(CNC(=O)c2csc(NC3CCOCC3)c2C)c(=O)[nH]1.
What is the InChIKey of 4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(oxan-4-ylamino)thiophene-3-carboxamide?
The InChIKey is IQZPCWILQQUONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c1-10-7-15(19(20,21)22)13(17(27)24-10)8-23-16(26)14-9-29-18(11(14)2)25-12-3-5-28-6-4-12/h7,9,12,25H,3-6,8H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(oxan-4-ylamino)thiophene-3-carboxamide?
4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(oxan-4-ylamino)thiophene-3-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-5-(oxan-4-ylamino)thiophene-3-carboxamide is sourced from PubChem (CID 144740455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).