N-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide

C22H26N4O — CID 119074443

IUPACN-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCCCCN(Cc1ccncc1)C(=O)c1ccc(-c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C22H26N4O/c1-4-5-14-26(15-18-10-12-23-13-11-18)22(27)20-8-6-19(7-9-20)21-16(2)24-25-17(21)3/h6-13H,4-5,14-15H2,1-3H3,(H,24,25)
InChIKeyNWFYYKQAUGEXDB-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.53
Rot. Bonds7

About N-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide

N-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 119074443) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID119074443
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCCCCN(Cc1ccncc1)C(=O)c1ccc(-c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C22H26N4O/c1-4-5-14-26(15-18-10-12-23-13-11-18)22(27)20-8-6-19(7-9-20)21-16(2)24-25-17(21)3/h6-13H,4-5,14-15H2,1-3H3,(H,24,25)
InChIKeyNWFYYKQAUGEXDB-UHFFFAOYSA-N
XLogP4.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-methyl-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide
CID 77080314
N-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 77097813
N-pentyl-N-(pyridin-4-ylmethyl)acetamide
CID 46205843
N-butyl-N-(2-chloroethyl)pyridine-4-carboxamide
CID 63390664
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 77089637
2-[4-[[benzoyl(butyl)amino]methyl]phenyl]benzoic acid
CID 162648208
sodium 4-[4-[[butyl-(4-chlorobenzoyl)amino]methyl]phenyl]benzoate
CID 23713087
N-butyl-N-ethyl-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080817
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055517
N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 130315749
N-[(4-ethylphenyl)methyl]-4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide
CID 122565465

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide (CID 119074443) is N-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide is CCCCN(Cc1ccncc1)C(=O)c1ccc(-c2c(C)n[nH]c2C)cc1.
What is the InChIKey of N-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is NWFYYKQAUGEXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-5-14-26(15-18-10-12-23-13-11-18)22(27)20-8-6-19(7-9-20)21-16(2)24-25-17(21)3/h6-13H,4-5,14-15H2,1-3H3,(H,24,25).
What are the key properties of N-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide?
N-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 362.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 119074443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).