4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide

C16H25N3O — CID 133471382

IUPAC4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide
SMILESCC(C)(C)C1CCCN(c2ccncc2C(N)=O)CC1
InChIInChI=1S/C16H25N3O/c1-16(2,3)12-5-4-9-19(10-7-12)14-6-8-18-11-13(14)15(17)20/h6,8,11-12H,4-5,7,9-10H2,1-3H3,(H2,17,20)
InChIKeyQFORLBDJICEHDB-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.83
Rot. Bonds2

About 4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide

4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide (PubChem CID 133471382) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide
PubChem CID133471382
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide
SMILESCC(C)(C)C1CCCN(c2ccncc2C(N)=O)CC1
InChIInChI=1S/C16H25N3O/c1-16(2,3)12-5-4-9-19(10-7-12)14-6-8-18-11-13(14)15(17)20/h6,8,11-12H,4-5,7,9-10H2,1-3H3,(H2,17,20)
InChIKeyQFORLBDJICEHDB-UHFFFAOYSA-N
XLogP2.83
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide?
The IUPAC name of 4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide (CID 133471382) is 4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide is CC(C)(C)C1CCCN(c2ccncc2C(N)=O)CC1.
What is the InChIKey of 4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide?
The InChIKey is QFORLBDJICEHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,3)12-5-4-9-19(10-7-12)14-6-8-18-11-13(14)15(17)20/h6,8,11-12H,4-5,7,9-10H2,1-3H3,(H2,17,20).
What are the key properties of 4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide?
4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133471382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).