N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

C22H21ClN6O — CID 78875751

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3cnn(Cc4ccccc4)c3)n2)n1
InChIInChI=1S/C22H21ClN6O/c1-15-10-16(2)29(27-15)20-9-8-19(23)21(26-20)22(30)24-11-18-12-25-28(14-18)13-17-6-4-3-5-7-17/h3-10,12,14H,11,13H2,1-2H3,(H,24,30)
InChIKeyULZXDHSQDCYNTC-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.71
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (PubChem CID 78875751) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
PubChem CID78875751
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3cnn(Cc4ccccc4)c3)n2)n1
InChIInChI=1S/C22H21ClN6O/c1-15-10-16(2)29(27-15)20-9-8-19(23)21(26-20)22(30)24-11-18-12-25-28(14-18)13-17-6-4-3-5-7-17/h3-10,12,14H,11,13H2,1-2H3,(H,24,30)
InChIKeyULZXDHSQDCYNTC-UHFFFAOYSA-N
XLogP3.71
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 134000627
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3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55349924
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide
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3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 119438318
3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55348261
N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 78795969
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-naphthalen-2-yloxyethyl)pyridine-2-carboxamide
CID 112800686
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 78866642
N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride
CID 119641830
N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 55946939
3-chloro-N-[3-(diethylcarbamoyl)phenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (CID 78875751) is N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3cnn(Cc4ccccc4)c3)n2)n1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The InChIKey is ULZXDHSQDCYNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O/c1-15-10-16(2)29(27-15)20-9-8-19(23)21(26-20)22(30)24-11-18-12-25-28(14-18)13-17-6-4-3-5-7-17/h3-10,12,14H,11,13H2,1-2H3,(H,24,30).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 78875751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).