N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide

C26H33F3N6O2 — CID 130460065

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide
SMILES[H]/N=C/c1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(C2=CC(C)(C)NC(C)(C)C2)nc1NCC(F)(F)F
InChIInChI=1S/C26H33F3N6O2/c1-14-7-15(2)33-23(37)19(14)12-31-22(36)17-8-20(16-9-24(3,4)35-25(5,6)10-16)34-21(18(17)11-30)32-13-26(27,28)29/h7-9,11,30,35H,10,12-13H2,1-6H3,(H,31,36)(H,32,34)(H,33,37)/b30-11+
InChIKeyGVGVKFJVQVDXDO-KNBZMSCYSA-N
MW518.58 g/mol
LogP4.22
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide (PubChem CID 130460065) has the molecular formula C26H33F3N6O2 and a molecular weight of 518.58 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide
PubChem CID130460065
Molecular FormulaC26H33F3N6O2
Molecular Weight518.58 g/mol
Exact Mass518.26
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide
SMILES[H]/N=C/c1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(C2=CC(C)(C)NC(C)(C)C2)nc1NCC(F)(F)F
InChIInChI=1S/C26H33F3N6O2/c1-14-7-15(2)33-23(37)19(14)12-31-22(36)17-8-20(16-9-24(3,4)35-25(5,6)10-16)34-21(18(17)11-30)32-13-26(27,28)29/h7-9,11,30,35H,10,12-13H2,1-6H3,(H,31,36)(H,32,34)(H,33,37)/b30-11+
InChIKeyGVGVKFJVQVDXDO-KNBZMSCYSA-N
XLogP4.22
TPSA122.76 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.58
LogP ≤ 54.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(oxetan-3-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide
CID 130460224
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridine-4-carboxamide
CID 130460223
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide
CID 130459960
tert-butyl 4-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-methanimidoyl-6-(propan-2-ylamino)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]piperidine-1-carboxylate
CID 123346163
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2-(propan-2-ylamino)pyridine-4-carboxamide
CID 130459985
3-methanimidoyl-4-methyl-N-propan-2-yl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyridin-2-amine
CID 130460037
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide
CID 134525501
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N-(2-methylprop-2-enyl)-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 123974095
5-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoyl-3-(oxan-4-ylamino)benzamide
CID 130460089
tert-butyl 4-[5-bromo-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methanimidoylanilino]piperidine-1-carboxylate
CID 130460072
3-(cyclopentylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(4-formyl-2-methylphenyl)-2-methanimidoylbenzamide
CID 123882195
6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide
CID 123606182

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide (CID 130460065) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide is [H]/N=C/c1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(C2=CC(C)(C)NC(C)(C)C2)nc1NCC(F)(F)F.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide?
The InChIKey is GVGVKFJVQVDXDO-KNBZMSCYSA-N. The full InChI is InChI=1S/C26H33F3N6O2/c1-14-7-15(2)33-23(37)19(14)12-31-22(36)17-8-20(16-9-24(3,4)35-25(5,6)10-16)34-21(18(17)11-30)32-13-26(27,28)29/h7-9,11,30,35H,10,12-13H2,1-6H3,(H,31,36)(H,32,34)(H,33,37)/b30-11+.
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide has a molecular weight of 518.58 g/mol, XLogP of 4.22, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-2-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 130460065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).