6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide

C20H26F2N4O2 — CID 155350480

IUPAC6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2cc(F)nc(F)c2)nc1C(=O)NC(C)CCCC(C)C
InChIInChI=1S/C20H26F2N4O2/c1-12(2)6-5-7-13(3)23-20(27)19-15(28-4)8-9-18(26-19)24-14-10-16(21)25-17(22)11-14/h8-13H,5-7H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyUYQDRTQVNAYGOJ-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.45
Rot. Bonds9

About 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide

6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide (PubChem CID 155350480) has the molecular formula C20H26F2N4O2 and a molecular weight of 392.45 g/mol. Its IUPAC name is 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide
PubChem CID155350480
Molecular FormulaC20H26F2N4O2
Molecular Weight392.45 g/mol
Exact Mass392.20
IUPAC Name6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2cc(F)nc(F)c2)nc1C(=O)NC(C)CCCC(C)C
InChIInChI=1S/C20H26F2N4O2/c1-12(2)6-5-7-13(3)23-20(27)19-15(28-4)8-9-18(26-19)24-14-10-16(21)25-17(22)11-14/h8-13H,5-7H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyUYQDRTQVNAYGOJ-UHFFFAOYSA-N
XLogP4.45
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

6-((1R,2S)-2-aminocyclohexylamino)-4-(6-isopropyl-5-methoxypyridin-2-ylamino)pyridazine-3-carboxamide
CID 71626041
6-(2-Aminoethylamino)-4-(6-isopropyl-5-methoxypyridin-2-ylamino)pyridazine-3-carboxamide
CID 73777188
2'-(Cyclopropanecarboxamido)-5-methoxy-[3,4'-bipyridine]-6-carboxamide
CID 118732145
[2-[(4,6-Dimethylpyrimidin-2-yl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone
CID 90412275
(3-ethoxy-6-methylpyridin-2-yl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]piperidin-1-yl]methanone
CID 90442580
(3-Ethoxy-6-methylpyridin-2-yl)-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90443658
(3-ethoxy-6-methylpyridin-2-yl)((2S*,3R*)-2-methyl-3-((5-(trifluoromethyl)pyrimidin-2-yl)amino)piperidin-1-yl)methanone
CID 117629865
3-Ethoxy-N-[(1S,2S)-2-{[5-(trifluoromethyl)pyrazin-2-yl]amino}cyclopentyl]pyridine-2-carboxamide
CID 118308079
3-Ethoxy-N-[(1S,2S)-2-methyl-2-{[5-(trifluoromethyl)pyrazin-2-yl]amino}cyclopentyl]pyridine-2-carboxamide
CID 118308115
3-(Trifluoromethoxy)-N-[(1S,2S)-2-{[5-(trifluoromethyl)pyrazin-2-yl]amino}cyclopentyl]pyridine-2-carboxamide
CID 118308177
N-[(1S,2S)-2-Methyl-2-{[5-(trifluoromethyl)pyrazin-2-yl]amino}cyclopentyl]-3-(trifluoromethoxy)pyridine-2-carboxamide
CID 118308224
3-Ethoxy-6-methyl-N-[(1S,2S)-2-{[5-(trifluoromethyl)pyrazin-2-yl]amino}cyclopentyl]pyridine-2-carboxamide
CID 118308273

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide (CID 155350480) is 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide is COc1ccc(Nc2cc(F)nc(F)c2)nc1C(=O)NC(C)CCCC(C)C.
What is the InChIKey of 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide?
The InChIKey is UYQDRTQVNAYGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O2/c1-12(2)6-5-7-13(3)23-20(27)19-15(28-4)8-9-18(26-19)24-14-10-16(21)25-17(22)11-14/h8-13H,5-7H2,1-4H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide?
6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide has a molecular weight of 392.45 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(6-methylheptan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 155350480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).