N-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide

C23H26N4O2 — CID 146624273

IUPACN-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCCC2O)cc1Cc1ccc(-c2ccn(C)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-15-14-24-21(23(29)25-20-4-3-5-22(20)28)13-18(15)12-16-6-8-17(9-7-16)19-10-11-27(2)26-19/h6-11,13-14,20,22,28H,3-5,12H2,1-2H3,(H,25,29)
InChIKeyNZOVBYZMPUEMCZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.02
Rot. Bonds5

About N-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide

N-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 146624273) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID146624273
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCCC2O)cc1Cc1ccc(-c2ccn(C)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-15-14-24-21(23(29)25-20-4-3-5-22(20)28)13-18(15)12-16-6-8-17(9-7-16)19-10-11-27(2)26-19/h6-11,13-14,20,22,28H,3-5,12H2,1-2H3,(H,25,29)
InChIKeyNZOVBYZMPUEMCZ-UHFFFAOYSA-N
XLogP3.02
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide (CID 146624273) is N-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide is Cc1cnc(C(=O)NC2CCCC2O)cc1Cc1ccc(-c2ccn(C)n2)cc1.
What is the InChIKey of N-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is NZOVBYZMPUEMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-14-24-21(23(29)25-20-4-3-5-22(20)28)13-18(15)12-16-6-8-17(9-7-16)19-10-11-27(2)26-19/h6-11,13-14,20,22,28H,3-5,12H2,1-2H3,(H,25,29).
What are the key properties of N-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide?
N-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 146624273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).