6-[3-(ethylamino)propylamino]pyridine-2-carboxamide

C11H18N4O — CID 64587795

IUPAC6-[3-(ethylamino)propylamino]pyridine-2-carboxamide
SMILESCCNCCCNc1cccc(C(N)=O)n1
InChIInChI=1S/C11H18N4O/c1-2-13-7-4-8-14-10-6-3-5-9(15-10)11(12)16/h3,5-6,13H,2,4,7-8H2,1H3,(H2,12,16)(H,14,15)
InChIKeyUIWNNTNGUHWTMB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.59
Rot. Bonds7

About 6-[3-(ethylamino)propylamino]pyridine-2-carboxamide

6-[3-(ethylamino)propylamino]pyridine-2-carboxamide (PubChem CID 64587795) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-[3-(ethylamino)propylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-(ethylamino)propylamino]pyridine-2-carboxamide
PubChem CID64587795
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-[3-(ethylamino)propylamino]pyridine-2-carboxamide
SMILESCCNCCCNc1cccc(C(N)=O)n1
InChIInChI=1S/C11H18N4O/c1-2-13-7-4-8-14-10-6-3-5-9(15-10)11(12)16/h3,5-6,13H,2,4,7-8H2,1H3,(H2,12,16)(H,14,15)
InChIKeyUIWNNTNGUHWTMB-UHFFFAOYSA-N
XLogP0.59
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.59
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

7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid
CID 64588541
6-(2-aminopropylamino)pyridine-2-carboxamide
CID 64588003
1-[6-(pentylamino)-2-pyridinyl]ethanone
CID 68551808
2-[3-(ethylamino)propylamino]pyridine-4-carboxamide
CID 61020016
N-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239477
6-[[(2S)-butan-2-yl]amino]pyridine-2-carboxamide
CID 123938192
2-[3-(ethylamino)propylamino]benzamide
CID 61020118
4,6-bis[6-(butylamino)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 175740477
6-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-2-carboxamide
CID 107489464
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-2-carboxamide
CID 113283634
6-(ethylamino)pyridine-2-carbothioamide
CID 64587628

Frequently Asked Questions

What is the IUPAC name of 6-[3-(ethylamino)propylamino]pyridine-2-carboxamide?
The IUPAC name of 6-[3-(ethylamino)propylamino]pyridine-2-carboxamide (CID 64587795) is 6-[3-(ethylamino)propylamino]pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-(ethylamino)propylamino]pyridine-2-carboxamide?
The canonical SMILES for 6-[3-(ethylamino)propylamino]pyridine-2-carboxamide is CCNCCCNc1cccc(C(N)=O)n1.
What is the InChIKey of 6-[3-(ethylamino)propylamino]pyridine-2-carboxamide?
The InChIKey is UIWNNTNGUHWTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-13-7-4-8-14-10-6-3-5-9(15-10)11(12)16/h3,5-6,13H,2,4,7-8H2,1H3,(H2,12,16)(H,14,15).
What are the key properties of 6-[3-(ethylamino)propylamino]pyridine-2-carboxamide?
6-[3-(ethylamino)propylamino]pyridine-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(ethylamino)propylamino]pyridine-2-carboxamide is sourced from PubChem (CID 64587795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).