2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide

C14H17F2N3O3 — CID 167781525

IUPAC2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide
SMILESO=C1CCC(NC(=O)c2ccnc(OCC(F)F)c2)CCN1
InChIInChI=1S/C14H17F2N3O3/c15-11(16)8-22-13-7-9(3-5-18-13)14(21)19-10-1-2-12(20)17-6-4-10/h3,5,7,10-11H,1-2,4,6,8H2,(H,17,20)(H,19,21)
InChIKeyQTIOKGTVXBMBTE-UHFFFAOYSA-N
MW313.30 g/mol
LogP1.12
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide

2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide (PubChem CID 167781525) has the molecular formula C14H17F2N3O3 and a molecular weight of 313.30 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide
PubChem CID167781525
Molecular FormulaC14H17F2N3O3
Molecular Weight313.30 g/mol
Exact Mass313.12
IUPAC Name2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide
SMILESO=C1CCC(NC(=O)c2ccnc(OCC(F)F)c2)CCN1
InChIInChI=1S/C14H17F2N3O3/c15-11(16)8-22-13-7-9(3-5-18-13)14(21)19-10-1-2-12(20)17-6-4-10/h3,5,7,10-11H,1-2,4,6,8H2,(H,17,20)(H,19,21)
InChIKeyQTIOKGTVXBMBTE-UHFFFAOYSA-N
XLogP1.12
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide
CID 62489932
2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide
CID 138002572
3-fluoro-N-(2-oxopiperidin-4-yl)benzamide
CID 112534527
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-N-[(3S)-6-oxopiperidin-3-yl]benzamide
CID 10473302
2-(2,2-difluoroethoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide
CID 122156299
1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide
CID 138055821
4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524557
N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 62492175
6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide
CID 138036120
N-cyclohexyl-2-fluoropyridine-4-carboxamide
CID 59355741
3-methyl-N-(2-oxopiperidin-4-yl)benzamide
CID 112534523

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide (CID 167781525) is 2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide is O=C1CCC(NC(=O)c2ccnc(OCC(F)F)c2)CCN1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide?
The InChIKey is QTIOKGTVXBMBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O3/c15-11(16)8-22-13-7-9(3-5-18-13)14(21)19-10-1-2-12(20)17-6-4-10/h3,5,7,10-11H,1-2,4,6,8H2,(H,17,20)(H,19,21).
What are the key properties of 2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide?
2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide has a molecular weight of 313.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 167781525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).