N-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide

C17H21N3O — CID 43508026

IUPACN-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide
SMILESCCNC(C)c1ccccc1NC(=O)c1ccc(C)nc1
InChIInChI=1S/C17H21N3O/c1-4-18-13(3)15-7-5-6-8-16(15)20-17(21)14-10-9-12(2)19-11-14/h5-11,13,18H,4H2,1-3H3,(H,20,21)
InChIKeyURLUQCHJUTUIBG-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.31
Rot. Bonds5

About N-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide

N-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide (PubChem CID 43508026) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide
PubChem CID43508026
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide
SMILESCCNC(C)c1ccccc1NC(=O)c1ccc(C)nc1
InChIInChI=1S/C17H21N3O/c1-4-18-13(3)15-7-5-6-8-16(15)20-17(21)14-10-9-12(2)19-11-14/h5-11,13,18H,4H2,1-3H3,(H,20,21)
InChIKeyURLUQCHJUTUIBG-UHFFFAOYSA-N
XLogP3.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18148000
3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea
CID 79154848
6-methyl-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 18149472
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 43369535
6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418
N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide
CID 43508002
N-[2-[1-(ethylamino)ethyl]phenyl]cyclohexanecarboxamide
CID 43508004
6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477101
1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea
CID 116658189
6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 18158456
N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide
CID 79157491
N-[4-(ethylaminomethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 106910201

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide (CID 43508026) is N-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide is CCNC(C)c1ccccc1NC(=O)c1ccc(C)nc1.
What is the InChIKey of N-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is URLUQCHJUTUIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-18-13(3)15-7-5-6-8-16(15)20-17(21)14-10-9-12(2)19-11-14/h5-11,13,18H,4H2,1-3H3,(H,20,21).
What are the key properties of N-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide?
N-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 43508026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).