N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

C22H26N4O — CID 119070990

IUPACN-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1ccc(-c2ccccn2)cc1)C(C)C
InChIInChI=1S/C22H26N4O/c1-15(2)26(14-20-16(3)24-25(5)17(20)4)22(27)19-11-9-18(10-12-19)21-8-6-7-13-23-21/h6-13,15H,14H2,1-5H3
InChIKeyAUVCNARLSDXXLZ-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.15
Rot. Bonds5

About N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 119070990) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
PubChem CID119070990
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1ccc(-c2ccccn2)cc1)C(C)C
InChIInChI=1S/C22H26N4O/c1-15(2)26(14-20-16(3)24-25(5)17(20)4)22(27)19-11-9-18(10-12-19)21-8-6-7-13-23-21/h6-13,15H,14H2,1-5H3
InChIKeyAUVCNARLSDXXLZ-UHFFFAOYSA-N
XLogP4.15
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50972818
2-(ethylamino)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 46983799
N-[(4-pyridin-2-ylphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 131905244
N-[(1-methylimidazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 42780924
N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide
CID 91762656
7-chloro-N,8-dimethyl-2-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 17376755
4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 60956029
2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid
CID 110464860
1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105081186
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50951963
2-(1,3,5-trimethylpyrazol-4-yl)pyridine
CID 91021592
N-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide
CID 50959754

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (CID 119070990) is N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is Cc1nn(C)c(C)c1CN(C(=O)c1ccc(-c2ccccn2)cc1)C(C)C.
What is the InChIKey of N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is AUVCNARLSDXXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15(2)26(14-20-16(3)24-25(5)17(20)4)22(27)19-11-9-18(10-12-19)21-8-6-7-13-23-21/h6-13,15H,14H2,1-5H3.
What are the key properties of N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 362.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 119070990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).