N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide

C12H19N3O — CID 106752314

IUPACN-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N(CCN)C(C)C)ccn1
InChIInChI=1S/C12H19N3O/c1-9(2)15(7-5-13)12(16)11-4-6-14-10(3)8-11/h4,6,8-9H,5,7,13H2,1-3H3
InChIKeyROXLXZDIPGZIBN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.20
Rot. Bonds4

About N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide

N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 106752314) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide
PubChem CID106752314
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N(CCN)C(C)C)ccn1
InChIInChI=1S/C12H19N3O/c1-9(2)15(7-5-13)12(16)11-4-6-14-10(3)8-11/h4,6,8-9H,5,7,13H2,1-3H3
InChIKeyROXLXZDIPGZIBN-UHFFFAOYSA-N
XLogP1.20
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide
CID 28707889
N-(2-aminoethyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754373
N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide
CID 61350677
2-amino-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 62156310
2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide
CID 114326149
N-(2-aminoethyl)-N-propan-2-ylfuran-3-carboxamide
CID 61350095
N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
CID 55151142
N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide
CID 62850042
N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752319
N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79726380
N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 61349904
N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide
CID 106752285

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide (CID 106752314) is N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide is Cc1cc(C(=O)N(CCN)C(C)C)ccn1.
What is the InChIKey of N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is ROXLXZDIPGZIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)15(7-5-13)12(16)11-4-6-14-10(3)8-11/h4,6,8-9H,5,7,13H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide?
N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 106752314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).