2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide

C15H22BrN3O — CID 103754728

IUPAC2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cccnc2Br)CC1
InChIInChI=1S/C15H22BrN3O/c1-15(2,3)19-9-6-11(7-10-19)18-14(20)12-5-4-8-17-13(12)16/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,20)
InChIKeySIOOJPHNUJRGRD-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.84
Rot. Bonds2

About 2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide

2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 103754728) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID103754728
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cccnc2Br)CC1
InChIInChI=1S/C15H22BrN3O/c1-15(2,3)19-9-6-11(7-10-19)18-14(20)12-5-4-8-17-13(12)16/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,20)
InChIKeySIOOJPHNUJRGRD-UHFFFAOYSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
CID 62649219
3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide
CID 61101990
5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide
CID 62953534
5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide
CID 61034621
2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 103839457
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide
CID 115540148
N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 103754574
N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide
CID 170668441
2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide
CID 103868583
2-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 113255136
2-bromo-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 113255665

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide (CID 103754728) is 2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide is CC(C)(C)N1CCC(NC(=O)c2cccnc2Br)CC1.
What is the InChIKey of 2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is SIOOJPHNUJRGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-15(2,3)19-9-6-11(7-10-19)18-14(20)12-5-4-8-17-13(12)16/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,18,20).
What are the key properties of 2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide?
2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 340.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 103754728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).