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

C16H19N3O2 — CID 62239248

IUPACN-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C16H19N3O2/c1-17-15-5-3-4-14(19-15)16(20)18-11-10-12-6-8-13(21-2)9-7-12/h3-9H,10-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyIHQBEFAIJTXMDA-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.10
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide (PubChem CID 62239248) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
PubChem CID62239248
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C16H19N3O2/c1-17-15-5-3-4-14(19-15)16(20)18-11-10-12-6-8-13(21-2)9-7-12/h3-9H,10-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyIHQBEFAIJTXMDA-UHFFFAOYSA-N
XLogP2.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide (CID 62239248) is N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide is CNc1cccc(C(=O)NCCc2ccc(OC)cc2)n1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is IHQBEFAIJTXMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-15-5-3-4-14(19-15)16(20)18-11-10-12-6-8-13(21-2)9-7-12/h3-9H,10-11H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62239248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).