N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide

C20H23N5O2 — CID 70753150

IUPACN-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCn1c(CN2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)nc2ccccc21
InChIInChI=1S/C20H23N5O2/c1-24-17-8-3-2-6-14(17)22-19(24)13-25-11-9-15(18(26)12-25)23-20(27)16-7-4-5-10-21-16/h2-8,10,15,18,26H,9,11-13H2,1H3,(H,23,27)/t15-,18-/m1/s1
InChIKeyMWPGHHYMKXPUNX-CRAIPNDOSA-N
MW365.44 g/mol
LogP1.33
Rot. Bonds4

About N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide

N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 70753150) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID70753150
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCn1c(CN2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)nc2ccccc21
InChIInChI=1S/C20H23N5O2/c1-24-17-8-3-2-6-14(17)22-19(24)13-25-11-9-15(18(26)12-25)23-20(27)16-7-4-5-10-21-16/h2-8,10,15,18,26H,9,11-13H2,1H3,(H,23,27)/t15-,18-/m1/s1
InChIKeyMWPGHHYMKXPUNX-CRAIPNDOSA-N
XLogP1.33
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide (CID 70753150) is N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide is Cn1c(CN2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)nc2ccccc21.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is MWPGHHYMKXPUNX-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-24-17-8-3-2-6-14(17)22-19(24)13-25-11-9-15(18(26)12-25)23-20(27)16-7-4-5-10-21-16/h2-8,10,15,18,26H,9,11-13H2,1H3,(H,23,27)/t15-,18-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 70753150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).