N-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide

C24H26N2O3 — CID 46986681

IUPACN-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(CO)N(Cc1cccnc1)C(=O)c1cccc(-c2ccccc2OC)c1
InChIInChI=1S/C24H26N2O3/c1-3-21(17-27)26(16-18-8-7-13-25-15-18)24(28)20-10-6-9-19(14-20)22-11-4-5-12-23(22)29-2/h4-15,21,27H,3,16-17H2,1-2H3
InChIKeyVYQIVGIUMNHFJA-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.17
Rot. Bonds8

About N-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide

N-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 46986681) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID46986681
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(CO)N(Cc1cccnc1)C(=O)c1cccc(-c2ccccc2OC)c1
InChIInChI=1S/C24H26N2O3/c1-3-21(17-27)26(16-18-8-7-13-25-15-18)24(28)20-10-6-9-19(14-20)22-11-4-5-12-23(22)29-2/h4-15,21,27H,3,16-17H2,1-2H3
InChIKeyVYQIVGIUMNHFJA-UHFFFAOYSA-N
XLogP4.17
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 46997556
4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 164637456
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60557001
3-(2-methoxyphenyl)pyridine
CID 4133297
3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55820021
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 95225196
1-[3-(2-methoxyphenyl)phenyl]-2-methylpropan-1-one
CID 82120149
3-(2-methoxyphenyl)benzoic acid
CID 2759547
N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796391
N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 50980220
N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide (CID 46986681) is N-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide is CCC(CO)N(Cc1cccnc1)C(=O)c1cccc(-c2ccccc2OC)c1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is VYQIVGIUMNHFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-21(17-27)26(16-18-8-7-13-25-15-18)24(28)20-10-6-9-19(14-20)22-11-4-5-12-23(22)29-2/h4-15,21,27H,3,16-17H2,1-2H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide?
N-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 390.48 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-3-(2-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 46986681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).