4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide

C27H26N2O3 — CID 172662620

IUPAC4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide
SMILESCOCC(c1ccccn1)N(C)C(=O)c1ccc(-c2cccc(CO)c2)c2ccccc12
InChIInChI=1S/C27H26N2O3/c1-29(26(18-32-2)25-12-5-6-15-28-25)27(31)24-14-13-21(22-10-3-4-11-23(22)24)20-9-7-8-19(16-20)17-30/h3-16,26,30H,17-18H2,1-2H3
InChIKeyFKNMZSNYRPSFBK-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.85
Rot. Bonds7

About 4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide

4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide (PubChem CID 172662620) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide
PubChem CID172662620
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide
SMILESCOCC(c1ccccn1)N(C)C(=O)c1ccc(-c2cccc(CO)c2)c2ccccc12
InChIInChI=1S/C27H26N2O3/c1-29(26(18-32-2)25-12-5-6-15-28-25)27(31)24-14-13-21(22-10-3-4-11-23(22)24)20-9-7-8-19(16-20)17-30/h3-16,26,30H,17-18H2,1-2H3
InChIKeyFKNMZSNYRPSFBK-UHFFFAOYSA-N
XLogP4.85
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 95123486
4-(2,5-dimethylphenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylbenzamide
CID 119066040
3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide
CID 125439779
3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide
CID 125159408
N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70760488
6-fluoro-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 74242682
N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97146350
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,3,5-trimethyl-1H-indole-2-carboxamide
CID 97132449
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide
CID 131933604
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide
CID 97152757
3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol
CID 131894922
1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 77092549

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide?
The IUPAC name of 4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide (CID 172662620) is 4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide.
What is the SMILES notation for 4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide?
The canonical SMILES for 4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide is COCC(c1ccccn1)N(C)C(=O)c1ccc(-c2cccc(CO)c2)c2ccccc12.
What is the InChIKey of 4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide?
The InChIKey is FKNMZSNYRPSFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-29(26(18-32-2)25-12-5-6-15-28-25)27(31)24-14-13-21(22-10-3-4-11-23(22)24)20-9-7-8-19(16-20)17-30/h3-16,26,30H,17-18H2,1-2H3.
What are the key properties of 4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide?
4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 172662620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).