N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride

C16H19ClN2O4 — CID 110784320

IUPACN-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride
SMILESCOc1cc(OC)c(CNC(=O)c2ccncc2)c(OC)c1.Cl
InChIInChI=1S/C16H18N2O4.ClH/c1-20-12-8-14(21-2)13(15(9-12)22-3)10-18-16(19)11-4-6-17-7-5-11;/h4-9H,10H2,1-3H3,(H,18,19);1H
InChIKeyUQCKYXTXJADYSZ-UHFFFAOYSA-N
MW338.79 g/mol
LogP2.46
Rot. Bonds6

About N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride

N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 110784320) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride
PubChem CID110784320
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC NameN-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride
SMILESCOc1cc(OC)c(CNC(=O)c2ccncc2)c(OC)c1.Cl
InChIInChI=1S/C16H18N2O4.ClH/c1-20-12-8-14(21-2)13(15(9-12)22-3)10-18-16(19)11-4-6-17-7-5-11;/h4-9H,10H2,1-3H3,(H,18,19);1H
InChIKeyUQCKYXTXJADYSZ-UHFFFAOYSA-N
XLogP2.46
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 110784319
2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 110784312
3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 81089949
5-chloro-2-fluoro-N-[(2,4,6-trimethoxyphenyl)methyl]benzamide
CID 87006791
2-methyl-4-phenyl-1-(pyridin-4-ylmethyl)-N-[(2,4,6-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 22718420
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055230
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
N-[(2-methoxy-4,6-dimethylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110784884
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789665
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110788069

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride (CID 110784320) is N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride is COc1cc(OC)c(CNC(=O)c2ccncc2)c(OC)c1.Cl.
What is the InChIKey of N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is UQCKYXTXJADYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4.ClH/c1-20-12-8-14(21-2)13(15(9-12)22-3)10-18-16(19)11-4-6-17-7-5-11;/h4-9H,10H2,1-3H3,(H,18,19);1H.
What are the key properties of N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride?
N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 338.79 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110784320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).