N-(4-methyl-2-pyridinyl)azepane-1-carboxamide

C13H19N3O — CID 127514123

IUPACN-(4-methyl-2-pyridinyl)azepane-1-carboxamide
SMILESCc1ccnc(NC(=O)N2CCCCCC2)c1
InChIInChI=1S/C13H19N3O/c1-11-6-7-14-12(10-11)15-13(17)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,14,15,17)
InChIKeyFECXDFBGPJSBQC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.80
Rot. Bonds1

About N-(4-methyl-2-pyridinyl)azepane-1-carboxamide

N-(4-methyl-2-pyridinyl)azepane-1-carboxamide (PubChem CID 127514123) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)azepane-1-carboxamide
PubChem CID127514123
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(4-methyl-2-pyridinyl)azepane-1-carboxamide
SMILESCc1ccnc(NC(=O)N2CCCCCC2)c1
InChIInChI=1S/C13H19N3O/c1-11-6-7-14-12(10-11)15-13(17)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,14,15,17)
InChIKeyFECXDFBGPJSBQC-UHFFFAOYSA-N
XLogP2.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide
CID 75503755
N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide
CID 102820657
(E)-N-(4-methyl-2-pyridinyl)-4-oxo-4-piperidin-1-ylbut-2-enamide
CID 90467457
N-(4-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
CID 75454935
4-[2-(methylamino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 75503757
tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 41083455
N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47265912
N-pyrazin-2-ylazepane-1-carboxamide
CID 110492146
4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 2147569
N-pyrazin-2-ylpyrrolidine-1-carboxamide
CID 110492109
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 129477542
4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 50777609

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)azepane-1-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)azepane-1-carboxamide (CID 127514123) is N-(4-methyl-2-pyridinyl)azepane-1-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)azepane-1-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)azepane-1-carboxamide is Cc1ccnc(NC(=O)N2CCCCCC2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)azepane-1-carboxamide?
The InChIKey is FECXDFBGPJSBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11-6-7-14-12(10-11)15-13(17)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,14,15,17).
What are the key properties of N-(4-methyl-2-pyridinyl)azepane-1-carboxamide?
N-(4-methyl-2-pyridinyl)azepane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)azepane-1-carboxamide is sourced from PubChem (CID 127514123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).