N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide

C22H23N3O2 — CID 109158821

IUPACN-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(Nc2ccc(C)cc2)nc1
InChIInChI=1S/C22H23N3O2/c1-16-7-10-19(11-8-16)25-21-12-9-18(15-24-21)22(26)23-14-13-17-5-3-4-6-20(17)27-2/h3-12,15H,13-14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyYGONQYBUVMZTLL-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.11
Rot. Bonds7

About N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide (PubChem CID 109158821) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide
PubChem CID109158821
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(Nc2ccc(C)cc2)nc1
InChIInChI=1S/C22H23N3O2/c1-16-7-10-19(11-8-16)25-21-12-9-18(15-24-21)22(26)23-14-13-17-5-3-4-6-20(17)27-2/h3-12,15H,13-14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyYGONQYBUVMZTLL-UHFFFAOYSA-N
XLogP4.11
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 107261353
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265
N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113028340
6-(butan-2-ylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109151959
6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160841
6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157204
6-(4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157190
5-anilino-N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284601
2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260242
5-(3,5-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284611
2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172746

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide (CID 109158821) is N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide is COc1ccccc1CCNC(=O)c1ccc(Nc2ccc(C)cc2)nc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide?
The InChIKey is YGONQYBUVMZTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-7-10-19(11-8-16)25-21-12-9-18(15-24-21)22(26)23-14-13-17-5-3-4-6-20(17)27-2/h3-12,15H,13-14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109158821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).