2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide

C16H19N3O3 — CID 133319491

IUPAC2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCc1ccc(OC)cc1OC
InChIInChI=1S/C16H19N3O3/c1-17-16(20)13-5-4-8-18-15(13)19-10-11-6-7-12(21-2)9-14(11)22-3/h4-9H,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyURWHNWOBVOTZDZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.07
Rot. Bonds6

About 2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide

2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide (PubChem CID 133319491) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
PubChem CID133319491
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCc1ccc(OC)cc1OC
InChIInChI=1S/C16H19N3O3/c1-17-16(20)13-5-4-8-18-15(13)19-10-11-6-7-12(21-2)9-14(11)22-3/h4-9H,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyURWHNWOBVOTZDZ-UHFFFAOYSA-N
XLogP2.07
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 71996721
4-[(2,4-dimethoxyphenyl)methylamino]quinazoline-8-carboxylic acid
CID 67042839
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
2-(2,4-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485782
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide
CID 163225385
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553954

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide (CID 133319491) is 2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1NCc1ccc(OC)cc1OC.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide?
The InChIKey is URWHNWOBVOTZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-17-16(20)13-5-4-8-18-15(13)19-10-11-6-7-12(21-2)9-14(11)22-3/h4-9H,10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide?
2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 133319491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).