N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide

C21H23N5O2 — CID 56745363

IUPACN-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide
SMILESO=C(NCc1cccnc1N1CCCC(O)C1)c1[nH]cnc1-c1ccccc1
InChIInChI=1S/C21H23N5O2/c27-17-9-5-11-26(13-17)20-16(8-4-10-22-20)12-23-21(28)19-18(24-14-25-19)15-6-2-1-3-7-15/h1-4,6-8,10,14,17,27H,5,9,11-13H2,(H,23,28)(H,24,25)
InChIKeyGOUGKGWRIQWBGI-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.36
Rot. Bonds5

About N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide

N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide (PubChem CID 56745363) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide
PubChem CID56745363
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide
SMILESO=C(NCc1cccnc1N1CCCC(O)C1)c1[nH]cnc1-c1ccccc1
InChIInChI=1S/C21H23N5O2/c27-17-9-5-11-26(13-17)20-16(8-4-10-22-20)12-23-21(28)19-18(24-14-25-19)15-6-2-1-3-7-15/h1-4,6-8,10,14,17,27H,5,9,11-13H2,(H,23,28)(H,24,25)
InChIKeyGOUGKGWRIQWBGI-UHFFFAOYSA-N
XLogP2.36
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 95191432
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 42147241
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 45252804
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 42305622
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 45184288
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 45232066
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95227914
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 56750620
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 95204100
3-(3,5-dimethylphenyl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]propanamide
CID 45206257
1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 45229309
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-(tetrazol-1-yl)butanamide
CID 95219026

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide (CID 56745363) is N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide is O=C(NCc1cccnc1N1CCCC(O)C1)c1[nH]cnc1-c1ccccc1.
What is the InChIKey of N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide?
The InChIKey is GOUGKGWRIQWBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-17-9-5-11-26(13-17)20-16(8-4-10-22-20)12-23-21(28)19-18(24-14-25-19)15-6-2-1-3-7-15/h1-4,6-8,10,14,17,27H,5,9,11-13H2,(H,23,28)(H,24,25).
What are the key properties of N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide?
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-phenyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 56745363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).