N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide

C18H23N3O2 — CID 113013416

IUPACN-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide
SMILESCOc1cccc(CCNc2ccc(NC(=O)C(C)C)cn2)c1
InChIInChI=1S/C18H23N3O2/c1-13(2)18(22)21-15-7-8-17(20-12-15)19-10-9-14-5-4-6-16(11-14)23-3/h4-8,11-13H,9-10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyYCEYFYJJBQEYDT-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.34
Rot. Bonds7

About N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide

N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide (PubChem CID 113013416) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide
PubChem CID113013416
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide
SMILESCOc1cccc(CCNc2ccc(NC(=O)C(C)C)cn2)c1
InChIInChI=1S/C18H23N3O2/c1-13(2)18(22)21-15-7-8-17(20-12-15)19-10-9-14-5-4-6-16(11-14)23-3/h4-8,11-13H,9-10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyYCEYFYJJBQEYDT-UHFFFAOYSA-N
XLogP3.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013432
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113028392
N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]oxolane-2-carboxamide
CID 113013421
2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013450
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanesulfonamide
CID 113028442
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide
CID 113028411
5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 107853484
6-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-3-amine
CID 23440804
N-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113015813
N-(2,6-difluorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192723
N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109156352

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide (CID 113013416) is N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide is COc1cccc(CCNc2ccc(NC(=O)C(C)C)cn2)c1.
What is the InChIKey of N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide?
The InChIKey is YCEYFYJJBQEYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)18(22)21-15-7-8-17(20-12-15)19-10-9-14-5-4-6-16(11-14)23-3/h4-8,11-13H,9-10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide?
N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 113013416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).