2-[3-(ethylamino)propylamino]pyridine-4-carboxamide

C11H18N4O — CID 61020016

IUPAC2-[3-(ethylamino)propylamino]pyridine-4-carboxamide
SMILESCCNCCCNc1cc(C(N)=O)ccn1
InChIInChI=1S/C11H18N4O/c1-2-13-5-3-6-14-10-8-9(11(12)16)4-7-15-10/h4,7-8,13H,2-3,5-6H2,1H3,(H2,12,16)(H,14,15)
InChIKeyVOFVFGNSWZIFNX-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.59
Rot. Bonds7

About 2-[3-(ethylamino)propylamino]pyridine-4-carboxamide

2-[3-(ethylamino)propylamino]pyridine-4-carboxamide (PubChem CID 61020016) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[3-(ethylamino)propylamino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-(ethylamino)propylamino]pyridine-4-carboxamide
PubChem CID61020016
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[3-(ethylamino)propylamino]pyridine-4-carboxamide
SMILESCCNCCCNc1cc(C(N)=O)ccn1
InChIInChI=1S/C11H18N4O/c1-2-13-5-3-6-14-10-8-9(11(12)16)4-7-15-10/h4,7-8,13H,2-3,5-6H2,1H3,(H2,12,16)(H,14,15)
InChIKeyVOFVFGNSWZIFNX-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

2-(2-hydroxypropylamino)pyridine-4-carboxamide
CID 130671464
2-(methylamino)pyridine-4-carboxamide
CID 45084294
6-[3-(ethylamino)propylamino]pyridine-2-carboxamide
CID 64587795
2-(butan-2-ylamino)pyridine-4-carboxamide
CID 131204108
2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide
CID 64539180
N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 61020117
N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide
CID 55046885
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
2-(3-propoxypropylamino)pyridine-4-carboxylic acid
CID 82943913
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 55047201
2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109165609

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)propylamino]pyridine-4-carboxamide?
The IUPAC name of 2-[3-(ethylamino)propylamino]pyridine-4-carboxamide (CID 61020016) is 2-[3-(ethylamino)propylamino]pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-(ethylamino)propylamino]pyridine-4-carboxamide?
The canonical SMILES for 2-[3-(ethylamino)propylamino]pyridine-4-carboxamide is CCNCCCNc1cc(C(N)=O)ccn1.
What is the InChIKey of 2-[3-(ethylamino)propylamino]pyridine-4-carboxamide?
The InChIKey is VOFVFGNSWZIFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-13-5-3-6-14-10-8-9(11(12)16)4-7-15-10/h4,7-8,13H,2-3,5-6H2,1H3,(H2,12,16)(H,14,15).
What are the key properties of 2-[3-(ethylamino)propylamino]pyridine-4-carboxamide?
2-[3-(ethylamino)propylamino]pyridine-4-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 2-[3-(ethylamino)propylamino]pyridine-4-carboxamide is sourced from PubChem (CID 61020016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).