N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide

C20H21ClN4O2 — CID 78795969

IUPACN-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)N(CCO)Cc3ccccc3)n2)n1
InChIInChI=1S/C20H21ClN4O2/c1-14-12-15(2)25(23-14)18-9-8-17(21)19(22-18)20(27)24(10-11-26)13-16-6-4-3-5-7-16/h3-9,12,26H,10-11,13H2,1-2H3
InChIKeyVNMPFUXPTZEIHE-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.17
Rot. Bonds6

About N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide

N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide (PubChem CID 78795969) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
PubChem CID78795969
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)N(CCO)Cc3ccccc3)n2)n1
InChIInChI=1S/C20H21ClN4O2/c1-14-12-15(2)25(23-14)18-9-8-17(21)19(22-18)20(27)24(10-11-26)13-16-6-4-3-5-7-16/h3-9,12,26H,10-11,13H2,1-2H3
InChIKeyVNMPFUXPTZEIHE-UHFFFAOYSA-N
XLogP3.17
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55305197
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 86839956
N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78875751
(3-methylphenyl)methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55305390
N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784946
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide
CID 119431879
1-phenylethyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 84601663
[2-(diethylamino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55305342
3-chloro-N-[3-(diethylcarbamoyl)phenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784719
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 78829190
N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 78796020
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 78785341

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide (CID 78795969) is N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N(CCO)Cc3ccccc3)n2)n1.
What is the InChIKey of N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The InChIKey is VNMPFUXPTZEIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-14-12-15(2)25(23-14)18-9-8-17(21)19(22-18)20(27)24(10-11-26)13-16-6-4-3-5-7-16/h3-9,12,26H,10-11,13H2,1-2H3.
What are the key properties of N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide?
N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 78795969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).