2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide

C14H18F2N2O2 — CID 105381317

IUPAC2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(O)CCCCCC1)c1ccnc(F)c1F
InChIInChI=1S/C14H18F2N2O2/c15-11-10(5-8-17-12(11)16)13(19)18-9-14(20)6-3-1-2-4-7-14/h5,8,20H,1-4,6-7,9H2,(H,18,19)
InChIKeyQZBHQZYWKPBNEN-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.17
Rot. Bonds3

About 2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide

2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide (PubChem CID 105381317) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
PubChem CID105381317
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(O)CCCCCC1)c1ccnc(F)c1F
InChIInChI=1S/C14H18F2N2O2/c15-11-10(5-8-17-12(11)16)13(19)18-9-14(20)6-3-1-2-4-7-14/h5,8,20H,1-4,6-7,9H2,(H,18,19)
InChIKeyQZBHQZYWKPBNEN-UHFFFAOYSA-N
XLogP2.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 106548037
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide
CID 105381019
3-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 66483576
2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
CID 106686927
N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381247
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 105380583
N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 65123055
3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 79758963
2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 103752807
2-(difluoromethylsulfanyl)-N-[(1-hydroxycycloheptyl)methyl]pyridine-3-carboxamide
CID 111428733

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide (CID 105381317) is 2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide is O=C(NCC1(O)CCCCCC1)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide?
The InChIKey is QZBHQZYWKPBNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-11-10(5-8-17-12(11)16)13(19)18-9-14(20)6-3-1-2-4-7-14/h5,8,20H,1-4,6-7,9H2,(H,18,19).
What are the key properties of 2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide?
2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 105381317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).