N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide

C21H21N3O2 — CID 109190188

IUPACN-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2cccc(C)c2)cn1
InChIInChI=1S/C21H21N3O2/c1-15-6-5-8-17(12-15)24-18-10-11-19(22-14-18)21(25)23-13-16-7-3-4-9-20(16)26-2/h3-12,14,24H,13H2,1-2H3,(H,23,25)
InChIKeyFGUMASSMISSMPQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.07
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide

N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide (PubChem CID 109190188) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide
PubChem CID109190188
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2cccc(C)c2)cn1
InChIInChI=1S/C21H21N3O2/c1-15-6-5-8-17(12-15)24-18-10-11-19(22-14-18)21(25)23-13-16-7-3-4-9-20(16)26-2/h3-12,14,24H,13H2,1-2H3,(H,23,25)
InChIKeyFGUMASSMISSMPQ-UHFFFAOYSA-N
XLogP4.07
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190233
5-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190194
5-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190217
5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190232
N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109190227
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190229
5-(N-ethyl-3-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190248
5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109184031
4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212009
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109189345
N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide (CID 109190188) is N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide is COc1ccccc1CNC(=O)c1ccc(Nc2cccc(C)c2)cn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide?
The InChIKey is FGUMASSMISSMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-6-5-8-17(12-15)24-18-10-11-19(22-14-18)21(25)23-13-16-7-3-4-9-20(16)26-2/h3-12,14,24H,13H2,1-2H3,(H,23,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109190188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).