2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide

C14H20BrN3O — CID 103754766

IUPAC2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide
SMILESCC(CNC(=O)c1ccnc(Br)c1)N1CCCCC1
InChIInChI=1S/C14H20BrN3O/c1-11(18-7-3-2-4-8-18)10-17-14(19)12-5-6-16-13(15)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,17,19)
InChIKeyZFAAQOCMHRVFBN-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.45
Rot. Bonds4

About 2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide

2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 103754766) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide
PubChem CID103754766
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide
SMILESCC(CNC(=O)c1ccnc(Br)c1)N1CCCCC1
InChIInChI=1S/C14H20BrN3O/c1-11(18-7-3-2-4-8-18)10-17-14(19)12-5-6-16-13(15)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,17,19)
InChIKeyZFAAQOCMHRVFBN-UHFFFAOYSA-N
XLogP2.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.45
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

2-(methylamino)-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 62178431
3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 51710424
3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide
CID 61140955
4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide
CID 80973531
4-chloro-N-(2-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61053300
6-methoxy-N-[(2S)-2-piperidin-1-ylpropyl]pyridine-3-carboxamide
CID 94633091
3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide
CID 95284101
2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 103755339
3-phenyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502353
3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502315
N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide
CID 93157610
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide (CID 103754766) is 2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide is CC(CNC(=O)c1ccnc(Br)c1)N1CCCCC1.
What is the InChIKey of 2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is ZFAAQOCMHRVFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-11(18-7-3-2-4-8-18)10-17-14(19)12-5-6-16-13(15)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,17,19).
What are the key properties of 2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide?
2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 103754766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).