N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide

C16H18N2O4 — CID 110784319

IUPACN-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1cc(OC)c(CNC(=O)c2cccnc2)c(OC)c1
InChIInChI=1S/C16H18N2O4/c1-20-12-7-14(21-2)13(15(8-12)22-3)10-18-16(19)11-5-4-6-17-9-11/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyYWKIPCMCGFSEQK-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.04
Rot. Bonds6

About N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide

N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 110784319) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID110784319
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1cc(OC)c(CNC(=O)c2cccnc2)c(OC)c1
InChIInChI=1S/C16H18N2O4/c1-20-12-7-14(21-2)13(15(8-12)22-3)10-18-16(19)11-5-4-6-17-9-11/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyYWKIPCMCGFSEQK-UHFFFAOYSA-N
XLogP2.04
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxy-4,6-dimethylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110784884
N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784320
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110790885
N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926572
N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 4238549
5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235293
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110781248
2-(pyridine-3-carbonylamino)ethyl 3-methoxybenzoate chloride
CID 21236630
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39023791
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pyridine-3-carboxamide
CID 110407840
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide (CID 110784319) is N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide is COc1cc(OC)c(CNC(=O)c2cccnc2)c(OC)c1.
What is the InChIKey of N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is YWKIPCMCGFSEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-20-12-7-14(21-2)13(15(8-12)22-3)10-18-16(19)11-5-4-6-17-9-11/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide?
N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.04, 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-3-carboxamide is sourced from PubChem (CID 110784319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).