N-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide

C12H19N3O — CID 139373654

IUPACN-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)N(C)C(C)N(C)C
InChIInChI=1S/C12H19N3O/c1-9-6-7-13-8-11(9)12(16)15(5)10(2)14(3)4/h6-8,10H,1-5H3
InChIKeyXCWIUVAPXAKTHN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.37
Rot. Bonds3

About N-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide

N-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide (PubChem CID 139373654) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide
PubChem CID139373654
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)N(C)C(C)N(C)C
InChIInChI=1S/C12H19N3O/c1-9-6-7-13-8-11(9)12(16)15(5)10(2)14(3)4/h6-8,10H,1-5H3
InChIKeyXCWIUVAPXAKTHN-UHFFFAOYSA-N
XLogP1.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-(4-methylpyridine-3-carbonyl)amino]propanoic acid
CID 110836421
methyl 3-[methyl-[1-[methyl-(4-methylpyridine-3-carbonyl)amino]ethyl]amino]bicyclo[1.1.1]pentane-1-carboxylate
CID 155044586
4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81226725
2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone
CID 79078017
4-methylpyridine-3-carbonyl chloride
CID 22386188
4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 81225414
methyl 4-methylpyridine-3-carboxylate
CID 10877301
4-amino-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 104554326
1-(4-methyl-3-pyridinyl)prop-2-en-1-one
CID 112704889
4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116596719
2-(aminomethyl)-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116574061
4-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 114244443

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide (CID 139373654) is N-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide is Cc1ccncc1C(=O)N(C)C(C)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide?
The InChIKey is XCWIUVAPXAKTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-6-7-13-8-11(9)12(16)15(5)10(2)14(3)4/h6-8,10H,1-5H3.
What are the key properties of N-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide?
N-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)ethyl]-N,4-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 139373654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).