6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide

C17H18F2N4O2 — CID 155341435

IUPAC6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2cc(F)nc(F)c2)nc1C(=O)NC1(C)CCC1
InChIInChI=1S/C17H18F2N4O2/c1-17(6-3-7-17)23-16(24)15-11(25-2)4-5-14(22-15)20-10-8-12(18)21-13(19)9-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyHAVOFXNARBYUBR-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.18
Rot. Bonds5

About 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide

6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide (PubChem CID 155341435) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide
PubChem CID155341435
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC Name6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2cc(F)nc(F)c2)nc1C(=O)NC1(C)CCC1
InChIInChI=1S/C17H18F2N4O2/c1-17(6-3-7-17)23-16(24)15-11(25-2)4-5-14(22-15)20-10-8-12(18)21-13(19)9-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyHAVOFXNARBYUBR-UHFFFAOYSA-N
XLogP3.18
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(6-chloro-3-pyridinyl)cyclobutyl]-6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxypyridine-2-carboxamide
CID 164934980
6-(3,5-difluoroanilino)-N-(2,3-dimethylbutan-2-yl)-3-methoxypyridine-2-carboxamide
CID 155350434
6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide
CID 155350378
3-bromo-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 115766099
6-(3,5-difluoroanilino)-3-methoxy-N-[1-(oxan-4-yl)ethyl]pyridine-2-carboxamide
CID 155727924
6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide
CID 155341112
N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide
CID 155350561
3-amino-4-methoxy-N-(1-methylcyclopentyl)benzamide
CID 61364767
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide
CID 162691550
6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide
CID 155352162
2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 113346628

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide?
The IUPAC name of 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide (CID 155341435) is 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide is COc1ccc(Nc2cc(F)nc(F)c2)nc1C(=O)NC1(C)CCC1.
What is the InChIKey of 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide?
The InChIKey is HAVOFXNARBYUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c1-17(6-3-7-17)23-16(24)15-11(25-2)4-5-14(22-15)20-10-8-12(18)21-13(19)9-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide?
6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 3.18, 5 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-(1-methylcyclobutyl)pyridine-2-carboxamide is sourced from PubChem (CID 155341435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).