N-(3-hydroxypiperidin-4-yl)-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzamide

C21H23N5O2 — CID 171359064

IUPACN-(3-hydroxypiperidin-4-yl)-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzamide
SMILESO=C(NC1CCNCC1O)c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1
InChIInChI=1S/C21H23N5O2/c27-20-12-22-8-7-19(20)25-21(28)17-4-2-16(3-5-17)18-6-1-15(11-24-18)13-26-10-9-23-14-26/h1-6,9-11,14,19-20,22,27H,7-8,12-13H2,(H,25,28)
InChIKeyOBWCZNBCDDVFGF-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.45
Rot. Bonds5

About N-(3-hydroxypiperidin-4-yl)-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzamide

N-(3-hydroxypiperidin-4-yl)-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzamide (PubChem CID 171359064) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(3-hydroxypiperidin-4-yl)-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(3-hydroxypiperidin-4-yl)-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzamide
PubChem CID171359064
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(3-hydroxypiperidin-4-yl)-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzamide
SMILESO=C(NC1CCNCC1O)c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1
InChIInChI=1S/C21H23N5O2/c27-20-12-22-8-7-19(20)25-21(28)17-4-2-16(3-5-17)18-6-1-15(11-24-18)13-26-10-9-23-14-26/h1-6,9-11,14,19-20,22,27H,7-8,12-13H2,(H,25,28)
InChIKeyOBWCZNBCDDVFGF-UHFFFAOYSA-N
XLogP1.45
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypiperidin-4-yl)-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(3-hydroxypiperidin-4-yl)-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzamide (CID 171359064) is N-(3-hydroxypiperidin-4-yl)-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(3-hydroxypiperidin-4-yl)-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(3-hydroxypiperidin-4-yl)-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzamide is O=C(NC1CCNCC1O)c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1.
What is the InChIKey of N-(3-hydroxypiperidin-4-yl)-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzamide?
The InChIKey is OBWCZNBCDDVFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-20-12-22-8-7-19(20)25-21(28)17-4-2-16(3-5-17)18-6-1-15(11-24-18)13-26-10-9-23-14-26/h1-6,9-11,14,19-20,22,27H,7-8,12-13H2,(H,25,28).
What are the key properties of N-(3-hydroxypiperidin-4-yl)-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzamide?
N-(3-hydroxypiperidin-4-yl)-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzamide has a molecular weight of 377.45 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypiperidin-4-yl)-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 171359064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).