N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide

C16H18N2O2 — CID 110793646

IUPACN-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1cc(C)c(C)cc1CNC(=O)c1ccccn1
InChIInChI=1S/C16H18N2O2/c1-11-8-13(15(20-3)9-12(11)2)10-18-16(19)14-6-4-5-7-17-14/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyNGVFXLQWTBFQNS-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.64
Rot. Bonds4

About N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide

N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 110793646) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide
PubChem CID110793646
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1cc(C)c(C)cc1CNC(=O)c1ccccn1
InChIInChI=1S/C16H18N2O2/c1-11-8-13(15(20-3)9-12(11)2)10-18-16(19)14-6-4-5-7-17-14/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyNGVFXLQWTBFQNS-UHFFFAOYSA-N
XLogP2.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridine-2-carboxamide
CID 110795315
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 110795764
N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793358
N-[(3,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 47024016
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide
CID 110444354
[2-[(pyridine-2-carbonylamino)methyl]phenyl] acetate
CID 102173247
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide
CID 110794329
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
N'-[2-(2-methoxyphenyl)acetyl]pyridine-2-carbohydrazide
CID 27661730
2,5-dimethoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110763244
5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110762042
N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109211945

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide (CID 110793646) is N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide is COc1cc(C)c(C)cc1CNC(=O)c1ccccn1.
What is the InChIKey of N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is NGVFXLQWTBFQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-8-13(15(20-3)9-12(11)2)10-18-16(19)14-6-4-5-7-17-14/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide?
N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110793646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).