N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide

C15H16BrN5O — CID 175648905

IUPACN-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ncc(Br)cn2)CC1)c1cccnc1
InChIInChI=1S/C15H16BrN5O/c16-12-9-18-15(19-10-12)21-6-3-13(4-7-21)20-14(22)11-2-1-5-17-8-11/h1-2,5,8-10,13H,3-4,6-7H2,(H,20,22)
InChIKeyAJDKJJQAMSJKIE-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.03
Rot. Bonds3

About N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide

N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 175648905) has the molecular formula C15H16BrN5O and a molecular weight of 362.23 g/mol. Its IUPAC name is N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID175648905
Molecular FormulaC15H16BrN5O
Molecular Weight362.23 g/mol
Exact Mass361.05
IUPAC NameN-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ncc(Br)cn2)CC1)c1cccnc1
InChIInChI=1S/C15H16BrN5O/c16-12-9-18-15(19-10-12)21-6-3-13(4-7-21)20-14(22)11-2-1-5-17-8-11/h1-2,5,8-10,13H,3-4,6-7H2,(H,20,22)
InChIKeyAJDKJJQAMSJKIE-UHFFFAOYSA-N
XLogP2.03
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-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

N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648718
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175649555
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 175650470
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175649792
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid
CID 66622606
N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993726
N-[1-[2-(3-bromophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108924895
N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 53185597
phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 110821885
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 55247301

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide (CID 175648905) is N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(c2ncc(Br)cn2)CC1)c1cccnc1.
What is the InChIKey of N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is AJDKJJQAMSJKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5O/c16-12-9-18-15(19-10-12)21-6-3-13(4-7-21)20-14(22)11-2-1-5-17-8-11/h1-2,5,8-10,13H,3-4,6-7H2,(H,20,22).
What are the key properties of N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide?
N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 362.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 175648905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).