N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide

C24H22N6O2 — CID 10180834

IUPACN-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide
SMILESCn1nc2ccc(Oc3ncccc3C(=O)NCc3ccc(C(C)(C)C#N)cc3)cc2n1
InChIInChI=1S/C24H22N6O2/c1-24(2,15-25)17-8-6-16(7-9-17)14-27-22(31)19-5-4-12-26-23(19)32-18-10-11-20-21(13-18)29-30(3)28-20/h4-13H,14H2,1-3H3,(H,27,31)
InChIKeyPSJWOKVMBCYHCU-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.89
Rot. Bonds6

About N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide

N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide (PubChem CID 10180834) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide
PubChem CID10180834
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC NameN-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide
SMILESCn1nc2ccc(Oc3ncccc3C(=O)NCc3ccc(C(C)(C)C#N)cc3)cc2n1
InChIInChI=1S/C24H22N6O2/c1-24(2,15-25)17-8-6-16(7-9-17)14-27-22(31)19-5-4-12-26-23(19)32-18-10-11-20-21(13-18)29-30(3)28-20/h4-13H,14H2,1-3H3,(H,27,31)
InChIKeyPSJWOKVMBCYHCU-UHFFFAOYSA-N
XLogP3.89
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide
CID 10296399
2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612370
methyl 2-[4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate
CID 10159242
2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 69207331
2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]methyl]pyridine-3-carboxamide
CID 10114387
(2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid
CID 23529310
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326
2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[2-chloro-4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 10296916
2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612119
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296
N-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide
CID 22612103
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide
CID 90650071

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide?
The IUPAC name of N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide (CID 10180834) is N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide?
The canonical SMILES for N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide is Cn1nc2ccc(Oc3ncccc3C(=O)NCc3ccc(C(C)(C)C#N)cc3)cc2n1.
What is the InChIKey of N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide?
The InChIKey is PSJWOKVMBCYHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-24(2,15-25)17-8-6-16(7-9-17)14-27-22(31)19-5-4-12-26-23(19)32-18-10-11-20-21(13-18)29-30(3)28-20/h4-13H,14H2,1-3H3,(H,27,31).
What are the key properties of N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide?
N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide is sourced from PubChem (CID 10180834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).