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

C18H17ClN4O — CID 2449793

IUPACN-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3ccccc3)n2)n1
InChIInChI=1S/C18H17ClN4O/c1-12-10-13(2)23(22-12)16-9-8-15(19)17(21-16)18(24)20-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyLREGHHAKAMZNSM-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.47
Rot. Bonds4

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

N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (PubChem CID 2449793) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
PubChem CID2449793
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3ccccc3)n2)n1
InChIInChI=1S/C18H17ClN4O/c1-12-10-13(2)23(22-12)16-9-8-15(19)17(21-16)18(24)20-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyLREGHHAKAMZNSM-UHFFFAOYSA-N
XLogP3.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (CID 2449793) is N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3ccccc3)n2)n1.
What is the InChIKey of N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The InChIKey is LREGHHAKAMZNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-12-10-13(2)23(22-12)16-9-8-15(19)17(21-16)18(24)20-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 2449793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).