2-(3-aminobutylamino)pyridine-3-carboxamide

C10H16N4O — CID 63251486

IUPAC2-(3-aminobutylamino)pyridine-3-carboxamide
SMILESCC(N)CCNc1ncccc1C(N)=O
InChIInChI=1S/C10H16N4O/c1-7(11)4-6-14-10-8(9(12)15)3-2-5-13-10/h2-3,5,7H,4,6,11H2,1H3,(H2,12,15)(H,13,14)
InChIKeyNVTASMDOIIZLGQ-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.33
Rot. Bonds5

About 2-(3-aminobutylamino)pyridine-3-carboxamide

2-(3-aminobutylamino)pyridine-3-carboxamide (PubChem CID 63251486) has the molecular formula C10H16N4O and a molecular weight of 208.27 g/mol. Its IUPAC name is 2-(3-aminobutylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-aminobutylamino)pyridine-3-carboxamide
PubChem CID63251486
Molecular FormulaC10H16N4O
Molecular Weight208.27 g/mol
Exact Mass208.13
IUPAC Name2-(3-aminobutylamino)pyridine-3-carboxamide
SMILESCC(N)CCNc1ncccc1C(N)=O
InChIInChI=1S/C10H16N4O/c1-7(11)4-6-14-10-8(9(12)15)3-2-5-13-10/h2-3,5,7H,4,6,11H2,1H3,(H2,12,15)(H,13,14)
InChIKeyNVTASMDOIIZLGQ-UHFFFAOYSA-N
XLogP0.33
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 54934775
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide
CID 61360383
ethyl 2-(3-methylsulfanylbutylamino)pyridine-3-carboxylate
CID 113494066
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562
2-(2-phenoxyethylamino)pyridine-3-carboxamide
CID 34013927
2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 43311020
2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
CID 106337875
4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid
CID 81065361
2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide
CID 61064041
ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
CID 107269211

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutylamino)pyridine-3-carboxamide?
The IUPAC name of 2-(3-aminobutylamino)pyridine-3-carboxamide (CID 63251486) is 2-(3-aminobutylamino)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-aminobutylamino)pyridine-3-carboxamide?
The canonical SMILES for 2-(3-aminobutylamino)pyridine-3-carboxamide is CC(N)CCNc1ncccc1C(N)=O.
What is the InChIKey of 2-(3-aminobutylamino)pyridine-3-carboxamide?
The InChIKey is NVTASMDOIIZLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(11)4-6-14-10-8(9(12)15)3-2-5-13-10/h2-3,5,7H,4,6,11H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 2-(3-aminobutylamino)pyridine-3-carboxamide?
2-(3-aminobutylamino)pyridine-3-carboxamide has a molecular weight of 208.27 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutylamino)pyridine-3-carboxamide is sourced from PubChem (CID 63251486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).