2-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]-N-(3-methylbutyl)benzamide

C27H31N3O2 — CID 146295816

IUPAC2-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccccc1Nc1ccc(OCc2ccccn2)cc1C1CC1
InChIInChI=1S/C27H31N3O2/c1-19(2)14-16-29-27(31)23-8-3-4-9-25(23)30-26-13-12-22(17-24(26)20-10-11-20)32-18-21-7-5-6-15-28-21/h3-9,12-13,15,17,19-20,30H,10-11,14,16,18H2,1-2H3,(H,29,31)
InChIKeyHNKTWTBUFUDJIB-UHFFFAOYSA-N
MW429.56 g/mol
LogP6.06
Rot. Bonds10

About 2-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]-N-(3-methylbutyl)benzamide

2-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]-N-(3-methylbutyl)benzamide (PubChem CID 146295816) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name2-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]-N-(3-methylbutyl)benzamide
PubChem CID146295816
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name2-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccccc1Nc1ccc(OCc2ccccn2)cc1C1CC1
InChIInChI=1S/C27H31N3O2/c1-19(2)14-16-29-27(31)23-8-3-4-9-25(23)30-26-13-12-22(17-24(26)20-10-11-20)32-18-21-7-5-6-15-28-21/h3-9,12-13,15,17,19-20,30H,10-11,14,16,18H2,1-2H3,(H,29,31)
InChIKeyHNKTWTBUFUDJIB-UHFFFAOYSA-N
XLogP6.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[3-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline
CID 146301557
3-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]phenol;molecular hydrogen;prop-1-ene;sulfane
CID 153391654
5-[2-cyclopropyl-4-(pyrimidin-2-ylcarbamoyl)anilino]-2-methyl-N-(3-methylbutyl)benzamide
CID 175161103
2-hydrazinyl-N-(3-methylbutyl)benzamide
CID 62238189
N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
2-cyclopropyl-N-[3-[2-(3-methylbut-2-enyl)tetrazol-5-yl]phenyl]-4-(pyridin-2-ylmethoxy)aniline
CID 146295896
3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105910
2-(methylamino)-N-(4-methylpentyl)benzamide
CID 61377674
N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 71998783
2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 86970699
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide
CID 146295815

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]-N-(3-methylbutyl)benzamide?
The IUPAC name of 2-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]-N-(3-methylbutyl)benzamide (CID 146295816) is 2-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 2-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 2-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccccc1Nc1ccc(OCc2ccccn2)cc1C1CC1.
What is the InChIKey of 2-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]-N-(3-methylbutyl)benzamide?
The InChIKey is HNKTWTBUFUDJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-19(2)14-16-29-27(31)23-8-3-4-9-25(23)30-26-13-12-22(17-24(26)20-10-11-20)32-18-21-7-5-6-15-28-21/h3-9,12-13,15,17,19-20,30H,10-11,14,16,18H2,1-2H3,(H,29,31).
What are the key properties of 2-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]-N-(3-methylbutyl)benzamide?
2-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]-N-(3-methylbutyl)benzamide has a molecular weight of 429.56 g/mol, XLogP of 6.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 146295816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).