N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide

C13H21N5O2 — CID 83115069

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCCNC(=O)N(C)C)ccn1
InChIInChI=1S/C13H21N5O2/c1-4-14-11-9-10(5-6-15-11)12(19)16-7-8-17-13(20)18(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,14,15)(H,16,19)(H,17,20)
InChIKeyJMBMLPBZHGREIV-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.51
Rot. Bonds6

About N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide

N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide (PubChem CID 83115069) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide
PubChem CID83115069
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCCNC(=O)N(C)C)ccn1
InChIInChI=1S/C13H21N5O2/c1-4-14-11-9-10(5-6-15-11)12(19)16-7-8-17-13(20)18(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,14,15)(H,16,19)(H,17,20)
InChIKeyJMBMLPBZHGREIV-UHFFFAOYSA-N
XLogP0.51
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-2-methylpropyl]-2-(ethylamino)pyridine-4-carboxamide
CID 62177284
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62176334
2-(ethylamino)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
CID 113252013
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
CID 115492102
N,N-diethyl-2-(ethylamino)pyridine-4-carboxamide
CID 62172696
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
2-(ethylamino)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82734231
N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)pyridine-4-carboxamide
CID 103738168
N-cyclopentyl-2-(ethylamino)pyridine-4-carboxamide
CID 62173243

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide (CID 83115069) is N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide is CCNc1cc(C(=O)NCCNC(=O)N(C)C)ccn1.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide?
The InChIKey is JMBMLPBZHGREIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-14-11-9-10(5-6-15-11)12(19)16-7-8-17-13(20)18(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,14,15)(H,16,19)(H,17,20).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide?
N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-2-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 83115069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).