6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide

C11H18N4O — CID 62663227

IUPAC6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
SMILESCC(C)NCCNc1ccc(C(N)=O)cn1
InChIInChI=1S/C11H18N4O/c1-8(2)13-5-6-14-10-4-3-9(7-15-10)11(12)16/h3-4,7-8,13H,5-6H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyTZAJBXPWKHXJGF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.59
Rot. Bonds6

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

6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide (PubChem CID 62663227) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
PubChem CID62663227
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
SMILESCC(C)NCCNc1ccc(C(N)=O)cn1
InChIInChI=1S/C11H18N4O/c1-8(2)13-5-6-14-10-4-3-9(7-15-10)11(12)16/h3-4,7-8,13H,5-6H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyTZAJBXPWKHXJGF-UHFFFAOYSA-N
XLogP0.59
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

6-(5-methylhexylamino)pyridine-3-carboxamide
CID 79003295
6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-3-carboxamide
CID 79830819
6-(hexylamino)pyridine-3-carboxamide
CID 112722796
6-(4-hydroxybutylamino)pyridine-3-carboxamide
CID 106842705
6-(2-methoxypropylamino)pyridine-3-carboxamide
CID 102699145
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carboxamide
CID 64541071
N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 62664659
6-(3-methylsulfinylpropylamino)pyridine-3-carboxamide
CID 115631413
6-(1-aminopropan-2-ylamino)pyridine-3-carboxamide
CID 63732982
6-(4-hydroxybutan-2-ylamino)pyridine-3-carboxamide
CID 79003427
6-(2-phenylsulfanylethylamino)pyridine-3-carboxamide
CID 112722874
6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide
CID 103705247

Frequently Asked Questions

What is the IUPAC name of 6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide (CID 62663227) is 6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide is CC(C)NCCNc1ccc(C(N)=O)cn1.
What is the InChIKey of 6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide?
The InChIKey is TZAJBXPWKHXJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(2)13-5-6-14-10-4-3-9(7-15-10)11(12)16/h3-4,7-8,13H,5-6H2,1-2H3,(H2,12,16)(H,14,15).
What are the key properties of 6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide?
6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 62663227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).