2,5-difluoro-N-[(1-methylcyclohexyl)methyl]-6-prop-2-ynoxypyridine-3-carboxamide

C17H20F2N2O2 — CID 89000833

IUPAC2,5-difluoro-N-[(1-methylcyclohexyl)methyl]-6-prop-2-ynoxypyridine-3-carboxamide
SMILESC#CCOc1nc(F)c(C(=O)NCC2(C)CCCCC2)cc1F
InChIInChI=1S/C17H20F2N2O2/c1-3-9-23-16-13(18)10-12(14(19)21-16)15(22)20-11-17(2)7-5-4-6-8-17/h1,10H,4-9,11H2,2H3,(H,20,22)
InChIKeyXZIHRZABWVHYMY-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.07
Rot. Bonds5

About 2,5-difluoro-N-[(1-methylcyclohexyl)methyl]-6-prop-2-ynoxypyridine-3-carboxamide

2,5-difluoro-N-[(1-methylcyclohexyl)methyl]-6-prop-2-ynoxypyridine-3-carboxamide (PubChem CID 89000833) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2,5-difluoro-N-[(1-methylcyclohexyl)methyl]-6-prop-2-ynoxypyridine-3-carboxamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(1-methylcyclohexyl)methyl]-6-prop-2-ynoxypyridine-3-carboxamide
PubChem CID89000833
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name2,5-difluoro-N-[(1-methylcyclohexyl)methyl]-6-prop-2-ynoxypyridine-3-carboxamide
SMILESC#CCOc1nc(F)c(C(=O)NCC2(C)CCCCC2)cc1F
InChIInChI=1S/C17H20F2N2O2/c1-3-9-23-16-13(18)10-12(14(19)21-16)15(22)20-11-17(2)7-5-4-6-8-17/h1,10H,4-9,11H2,2H3,(H,20,22)
InChIKeyXZIHRZABWVHYMY-UHFFFAOYSA-N
XLogP3.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide
CID 114107072
4,5-difluoro-N-[(1-methylcyclopentyl)methyl]-2-nitrobenzamide
CID 63820662
N-[(1-cyanocyclohexyl)methyl]-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 87366928
N-(cyclohexylmethyl)-2,3,5-trifluoro-4-prop-2-ynoxybenzamide
CID 59226988
2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63821027
5-amino-2-methyl-N-[(1-methylcyclopentyl)methyl]pyridine-3-carboxamide
CID 55259473
2-amino-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63821646
4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103820345
3,5-dihydroxy-N-[(1-methylcyclohexyl)methyl]benzamide
CID 104939154
2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
CID 86901481
4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103722151
2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide
CID 114372364

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(1-methylcyclohexyl)methyl]-6-prop-2-ynoxypyridine-3-carboxamide?
The IUPAC name of 2,5-difluoro-N-[(1-methylcyclohexyl)methyl]-6-prop-2-ynoxypyridine-3-carboxamide (CID 89000833) is 2,5-difluoro-N-[(1-methylcyclohexyl)methyl]-6-prop-2-ynoxypyridine-3-carboxamide.
What is the SMILES notation for 2,5-difluoro-N-[(1-methylcyclohexyl)methyl]-6-prop-2-ynoxypyridine-3-carboxamide?
The canonical SMILES for 2,5-difluoro-N-[(1-methylcyclohexyl)methyl]-6-prop-2-ynoxypyridine-3-carboxamide is C#CCOc1nc(F)c(C(=O)NCC2(C)CCCCC2)cc1F.
What is the InChIKey of 2,5-difluoro-N-[(1-methylcyclohexyl)methyl]-6-prop-2-ynoxypyridine-3-carboxamide?
The InChIKey is XZIHRZABWVHYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c1-3-9-23-16-13(18)10-12(14(19)21-16)15(22)20-11-17(2)7-5-4-6-8-17/h1,10H,4-9,11H2,2H3,(H,20,22).
What are the key properties of 2,5-difluoro-N-[(1-methylcyclohexyl)methyl]-6-prop-2-ynoxypyridine-3-carboxamide?
2,5-difluoro-N-[(1-methylcyclohexyl)methyl]-6-prop-2-ynoxypyridine-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(1-methylcyclohexyl)methyl]-6-prop-2-ynoxypyridine-3-carboxamide is sourced from PubChem (CID 89000833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).