N-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide

C16H19N3O2 — CID 62873976

IUPACN-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1cccnc1OC
InChIInChI=1S/C16H19N3O2/c1-3-17-11-12-7-4-5-9-14(12)19-15(20)13-8-6-10-18-16(13)21-2/h4-10,17H,3,11H2,1-2H3,(H,19,20)
InChIKeyUYVMZFDACBPKCF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.45
Rot. Bonds6

About N-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide

N-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide (PubChem CID 62873976) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide
PubChem CID62873976
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1cccnc1OC
InChIInChI=1S/C16H19N3O2/c1-3-17-11-12-7-4-5-9-14(12)19-15(20)13-8-6-10-18-16(13)21-2/h4-10,17H,3,11H2,1-2H3,(H,19,20)
InChIKeyUYVMZFDACBPKCF-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide (CID 62873976) is N-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide is CCNCc1ccccc1NC(=O)c1cccnc1OC.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is UYVMZFDACBPKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-17-11-12-7-4-5-9-14(12)19-15(20)13-8-6-10-18-16(13)21-2/h4-10,17H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide?
N-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 62873976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).