N-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide

C13H17ClN2O2 — CID 154871816

IUPACN-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide
SMILESCc1ncc(NC(=O)C2CCCOCC2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-9-12(14)7-11(8-15-9)16-13(17)10-3-2-5-18-6-4-10/h7-8,10H,2-6H2,1H3,(H,16,17)
InChIKeySGYSCXDRQZKHOJ-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.80
Rot. Bonds2

About N-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide

N-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide (PubChem CID 154871816) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide
PubChem CID154871816
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide
SMILESCc1ncc(NC(=O)C2CCCOCC2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-9-12(14)7-11(8-15-9)16-13(17)10-3-2-5-18-6-4-10/h7-8,10H,2-6H2,1H3,(H,16,17)
InChIKeySGYSCXDRQZKHOJ-UHFFFAOYSA-N
XLogP2.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-5-methyl-3-pyridinyl)cyclobutanecarboxamide
CID 103730424
N-(6-chloro-5-methyl-3-pyridinyl)cyclopentanecarboxamide
CID 103730413
N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113019012
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
CID 122300497
2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid
CID 164750475
N-(4-bromo-3,5-dimethylphenyl)oxane-3-carboxamide
CID 106491147
N-(6-amino-3-pyridinyl)oxane-4-carboxamide;hydrochloride
CID 119514919
N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113023357
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 131951604
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide?
The IUPAC name of N-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide (CID 154871816) is N-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide.
What is the SMILES notation for N-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide?
The canonical SMILES for N-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide is Cc1ncc(NC(=O)C2CCCOCC2)cc1Cl.
What is the InChIKey of N-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide?
The InChIKey is SGYSCXDRQZKHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9-12(14)7-11(8-15-9)16-13(17)10-3-2-5-18-6-4-10/h7-8,10H,2-6H2,1H3,(H,16,17).
What are the key properties of N-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide?
N-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-methyl-3-pyridinyl)oxepane-4-carboxamide is sourced from PubChem (CID 154871816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).