N-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide

C22H23N3O3 — CID 52931748

IUPACN-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide
SMILESCOc1cccc(CN(C)Cc2ccc(C(=O)Nc3ncccc3O)cc2)c1
InChIInChI=1S/C22H23N3O3/c1-25(15-17-5-3-6-19(13-17)28-2)14-16-8-10-18(11-9-16)22(27)24-21-20(26)7-4-12-23-21/h3-13,26H,14-15H2,1-2H3,(H,23,24,27)
InChIKeyMJVIBBJEOBHDLC-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.68
Rot. Bonds7

About N-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide

N-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide (PubChem CID 52931748) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide
PubChem CID52931748
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide
SMILESCOc1cccc(CN(C)Cc2ccc(C(=O)Nc3ncccc3O)cc2)c1
InChIInChI=1S/C22H23N3O3/c1-25(15-17-5-3-6-19(13-17)28-2)14-16-8-10-18(11-9-16)22(27)24-21-20(26)7-4-12-23-21/h3-13,26H,14-15H2,1-2H3,(H,23,24,27)
InChIKeyMJVIBBJEOBHDLC-UHFFFAOYSA-N
XLogP3.68
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8556360
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30160867
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]furan-2-carbohydrazide
CID 63578444
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62921449
4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 2698184
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 62894551
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 62208653
N-(3-hydroxy-2-pyridinyl)-4-propan-2-ylbenzamide
CID 25333159
N-(3-hydroxy-2-pyridinyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 46663784

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide (CID 52931748) is N-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide is COc1cccc(CN(C)Cc2ccc(C(=O)Nc3ncccc3O)cc2)c1.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide?
The InChIKey is MJVIBBJEOBHDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-25(15-17-5-3-6-19(13-17)28-2)14-16-8-10-18(11-9-16)22(27)24-21-20(26)7-4-12-23-21/h3-13,26H,14-15H2,1-2H3,(H,23,24,27).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide?
N-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide is sourced from PubChem (CID 52931748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).