N-(4-bromophenyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide

C20H20BrN5O — CID 133448349

IUPACN-(4-bromophenyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccnc1N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C20H20BrN5O/c21-15-5-7-16(8-6-15)25-20(27)17-4-1-9-24-19(17)26-12-2-3-14(13-26)18-22-10-11-23-18/h1,4-11,14H,2-3,12-13H2,(H,22,23)(H,25,27)
InChIKeyHDZKPSAGKAVPKA-UHFFFAOYSA-N
MW426.32 g/mol
LogP4.20
Rot. Bonds4

About N-(4-bromophenyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide

N-(4-bromophenyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133448349) has the molecular formula C20H20BrN5O and a molecular weight of 426.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133448349
Molecular FormulaC20H20BrN5O
Molecular Weight426.32 g/mol
Exact Mass425.09
IUPAC NameN-(4-bromophenyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccnc1N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C20H20BrN5O/c21-15-5-7-16(8-6-15)25-20(27)17-4-1-9-24-19(17)26-12-2-3-14(13-26)18-22-10-11-23-18/h1,4-11,14H,2-3,12-13H2,(H,22,23)(H,25,27)
InChIKeyHDZKPSAGKAVPKA-UHFFFAOYSA-N
XLogP4.20
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.32
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxamide
CID 133474432
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CID 47062568
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylquinoxaline
CID 127741692
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
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N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
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N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95104876
2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 97268730
4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one
CID 129352976
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
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2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133397673

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide (CID 133448349) is N-(4-bromophenyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1cccnc1N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of N-(4-bromophenyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is HDZKPSAGKAVPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN5O/c21-15-5-7-16(8-6-15)25-20(27)17-4-1-9-24-19(17)26-12-2-3-14(13-26)18-22-10-11-23-18/h1,4-11,14H,2-3,12-13H2,(H,22,23)(H,25,27).
What are the key properties of N-(4-bromophenyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide?
N-(4-bromophenyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 426.32 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133448349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).