6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide

C20H22N6O — CID 110090926

IUPAC6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc(C2CCCN(Cc3cnc[nH]3)C2)n1
InChIInChI=1S/C20H22N6O/c27-20(25-19-8-1-2-9-22-19)18-7-3-6-17(24-18)15-5-4-10-26(12-15)13-16-11-21-14-23-16/h1-3,6-9,11,14-15H,4-5,10,12-13H2,(H,21,23)(H,22,25,27)
InChIKeyMEJGRUBQPVRAMQ-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.83
Rot. Bonds5

About 6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide

6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 110090926) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
PubChem CID110090926
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc(C2CCCN(Cc3cnc[nH]3)C2)n1
InChIInChI=1S/C20H22N6O/c27-20(25-19-8-1-2-9-22-19)18-7-3-6-17(24-18)15-5-4-10-26(12-15)13-16-11-21-14-23-16/h1-3,6-9,11,14-15H,4-5,10,12-13H2,(H,21,23)(H,22,25,27)
InChIKeyMEJGRUBQPVRAMQ-UHFFFAOYSA-N
XLogP2.83
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110254341
6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 95817678
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 124961678
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 124952532
6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110254342
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 125026546
4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine
CID 110105773
N-pyridin-2-yl-1-(2H-triazol-4-ylmethyl)piperidine-3-carboxamide
CID 154802595
2-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 95809886
6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-N-pyrazin-2-ylpyridine-2-carboxamide
CID 95816042
[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124982023
N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 124995485

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide (CID 110090926) is 6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide is O=C(Nc1ccccn1)c1cccc(C2CCCN(Cc3cnc[nH]3)C2)n1.
What is the InChIKey of 6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is MEJGRUBQPVRAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20(25-19-8-1-2-9-22-19)18-7-3-6-17(24-18)15-5-4-10-26(12-15)13-16-11-21-14-23-16/h1-3,6-9,11,14-15H,4-5,10,12-13H2,(H,21,23)(H,22,25,27).
What are the key properties of 6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide?
6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 110090926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).