5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide

C25H23N5O2 — CID 86887909

IUPAC5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)Nc3ccc(OCc4cccnc4)cc3)c2C2CC2)cc1
InChIInChI=1S/C25H23N5O2/c1-17-4-10-21(11-5-17)30-24(19-6-7-19)23(28-29-30)25(31)27-20-8-12-22(13-9-20)32-16-18-3-2-14-26-15-18/h2-5,8-15,19H,6-7,16H2,1H3,(H,27,31)
InChIKeyVFKZQYMHHGDXBK-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.68
Rot. Bonds7

About 5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide

5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide (PubChem CID 86887909) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide
PubChem CID86887909
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)Nc3ccc(OCc4cccnc4)cc3)c2C2CC2)cc1
InChIInChI=1S/C25H23N5O2/c1-17-4-10-21(11-5-17)30-24(19-6-7-19)23(28-29-30)25(31)27-20-8-12-22(13-9-20)32-16-18-3-2-14-26-15-18/h2-5,8-15,19H,6-7,16H2,1H3,(H,27,31)
InChIKeyVFKZQYMHHGDXBK-UHFFFAOYSA-N
XLogP4.68
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide with MolForge

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Related Compounds

methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate
CID 86965087
1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 86888104
5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide
CID 86874503
5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86874499
5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide
CID 172994889
1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea
CID 156825214
5-cyclopropyl-1-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)triazole-4-carboxamide
CID 71881070
1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 37024627
N-[4-(5-cyclopropyl-3-methylpyrazol-1-yl)phenyl]-2-pyridin-3-ylacetamide;hydrochloride
CID 123743286
N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86934070
N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 166190877
1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide
CID 42602961

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide (CID 86887909) is 5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)Nc3ccc(OCc4cccnc4)cc3)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide?
The InChIKey is VFKZQYMHHGDXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-17-4-10-21(11-5-17)30-24(19-6-7-19)23(28-29-30)25(31)27-20-8-12-22(13-9-20)32-16-18-3-2-14-26-15-18/h2-5,8-15,19H,6-7,16H2,1H3,(H,27,31).
What are the key properties of 5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide?
5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 86887909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).