N-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide

C16H17BrN4O — CID 172901933

IUPACN-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCN(c2ccncc2Br)CC1)c1ccncc1
InChIInChI=1S/C16H17BrN4O/c17-14-11-19-8-3-15(14)21-9-4-13(5-10-21)20-16(22)12-1-6-18-7-2-12/h1-3,6-8,11,13H,4-5,9-10H2,(H,20,22)
InChIKeyTYUPIQGMRQBXFE-UHFFFAOYSA-N
MW361.24 g/mol
LogP2.64
Rot. Bonds3

About N-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide

N-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide (PubChem CID 172901933) has the molecular formula C16H17BrN4O and a molecular weight of 361.24 g/mol. Its IUPAC name is N-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide
PubChem CID172901933
Molecular FormulaC16H17BrN4O
Molecular Weight361.24 g/mol
Exact Mass360.06
IUPAC NameN-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCN(c2ccncc2Br)CC1)c1ccncc1
InChIInChI=1S/C16H17BrN4O/c17-14-11-19-8-3-15(14)21-9-4-13(5-10-21)20-16(22)12-1-6-18-7-2-12/h1-3,6-8,11,13H,4-5,9-10H2,(H,20,22)
InChIKeyTYUPIQGMRQBXFE-UHFFFAOYSA-N
XLogP2.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-4-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 163343619
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
1-(3-bromo-4-pyridinyl)piperidin-4-ol
CID 104777750
N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 172903534
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide
CID 124573736
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 104779258
N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648905

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide (CID 172901933) is N-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide is O=C(NC1CCN(c2ccncc2Br)CC1)c1ccncc1.
What is the InChIKey of N-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide?
The InChIKey is TYUPIQGMRQBXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O/c17-14-11-19-8-3-15(14)21-9-4-13(5-10-21)20-16(22)12-1-6-18-7-2-12/h1-3,6-8,11,13H,4-5,9-10H2,(H,20,22).
What are the key properties of N-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide?
N-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide has a molecular weight of 361.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 172901933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).