N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide

C24H22N4O2 — CID 141233579

IUPACN-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2cnn(C)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C24H22N4O2/c1-17-6-7-19(20-14-26-28(2)15-20)13-23(17)27-24(29)18-8-10-22(11-9-18)30-16-21-5-3-4-12-25-21/h3-15H,16H2,1-2H3,(H,27,29)
InChIKeyXPQKMJNUPYGYHV-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.62
Rot. Bonds6

About N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide

N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 141233579) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID141233579
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2cnn(C)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C24H22N4O2/c1-17-6-7-19(20-14-26-28(2)15-20)13-23(17)27-24(29)18-8-10-22(11-9-18)30-16-21-5-3-4-12-25-21/h3-15H,16H2,1-2H3,(H,27,29)
InChIKeyXPQKMJNUPYGYHV-UHFFFAOYSA-N
XLogP4.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68746808
N-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 86648378
N-[2-chloro-5-(1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68743448
N-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 174620648
N-cyclopropyl-3-[[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]amino]-4-methylbenzamide
CID 11419031
2-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794145
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methoxy-4-(1-methylpyrazol-4-yl)benzamide
CID 135143386
4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide
CID 86648382
4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080212
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-phenylmethoxybenzamide
CID 4053442
N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide
CID 135143780

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide (CID 141233579) is N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide is Cc1ccc(-c2cnn(C)c2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is XPQKMJNUPYGYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17-6-7-19(20-14-26-28(2)15-20)13-23(17)27-24(29)18-8-10-22(11-9-18)30-16-21-5-3-4-12-25-21/h3-15H,16H2,1-2H3,(H,27,29).
What are the key properties of N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 398.47 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 141233579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).