N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide

C16H19N3O3 — CID 38898343

IUPACN-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2N(C)C)cc1OC
InChIInChI=1S/C16H19N3O3/c1-19(2)15-12(6-5-9-17-15)16(20)18-11-7-8-13(21-3)14(10-11)22-4/h5-10H,1-4H3,(H,18,20)
InChIKeyKCNMIPBOVZNPOS-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.42
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide

N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide (PubChem CID 38898343) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide
PubChem CID38898343
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2N(C)C)cc1OC
InChIInChI=1S/C16H19N3O3/c1-19(2)15-12(6-5-9-17-15)16(20)18-11-7-8-13(21-3)14(10-11)22-4/h5-10H,1-4H3,(H,18,20)
InChIKeyKCNMIPBOVZNPOS-UHFFFAOYSA-N
XLogP2.42
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
2-(dimethylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 38886044
2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 55965315
2-(dimethylamino)-N-phenylpyridine-3-carboxamide
CID 38885522
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 48998095
N-(3-chloro-4-fluorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38898502
N-(3,5-dichlorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38887368
2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 84574680
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
N-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 20959480
2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 87509097
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 60637342

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide (CID 38898343) is N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2N(C)C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is KCNMIPBOVZNPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-19(2)15-12(6-5-9-17-15)16(20)18-11-7-8-13(21-3)14(10-11)22-4/h5-10H,1-4H3,(H,18,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 38898343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).