N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride

C18H23ClN2O2 — CID 110781248

IUPACN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
SMILESCOc1cc(C)c(CNC(=O)c2cccnc2)cc1C(C)C.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-12(2)16-9-15(13(3)8-17(16)22-4)11-20-18(21)14-6-5-7-19-10-14;/h5-10,12H,11H2,1-4H3,(H,20,21);1H
InChIKeyPJZFQDCFXXDDGI-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.87
Rot. Bonds5

About N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride

N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 110781248) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
PubChem CID110781248
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
SMILESCOc1cc(C)c(CNC(=O)c2cccnc2)cc1C(C)C.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-12(2)16-9-15(13(3)8-17(16)22-4)11-20-18(21)14-6-5-7-19-10-14;/h5-10,12H,11H2,1-4H3,(H,20,21);1H
InChIKeyPJZFQDCFXXDDGI-UHFFFAOYSA-N
XLogP3.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-4,6-dimethylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110784884
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46963422
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyridine-3-carboxamide
CID 110782938
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 16676131
N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 110784319
N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110786266
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110790885
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835
N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 175769075
N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide
CID 7303331

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride (CID 110781248) is N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride is COc1cc(C)c(CNC(=O)c2cccnc2)cc1C(C)C.Cl.
What is the InChIKey of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is PJZFQDCFXXDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-12(2)16-9-15(13(3)8-17(16)22-4)11-20-18(21)14-6-5-7-19-10-14;/h5-10,12H,11H2,1-4H3,(H,20,21);1H.
What are the key properties of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride?
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110781248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).