N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide

C12H19N5O — CID 79825438

IUPACN-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide
SMILESNc1ccc(NCCCC(=O)NC2CC2)nc1N
InChIInChI=1S/C12H19N5O/c13-9-5-6-10(17-12(9)14)15-7-1-2-11(18)16-8-3-4-8/h5-6,8H,1-4,7,13H2,(H,16,18)(H3,14,15,17)
InChIKeyZLFGQVXUEOQVPM-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.72
Rot. Bonds6

About N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide

N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide (PubChem CID 79825438) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide
PubChem CID79825438
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide
SMILESNc1ccc(NCCCC(=O)NC2CC2)nc1N
InChIInChI=1S/C12H19N5O/c13-9-5-6-10(17-12(9)14)15-7-1-2-11(18)16-8-3-4-8/h5-6,8H,1-4,7,13H2,(H,16,18)(H3,14,15,17)
InChIKeyZLFGQVXUEOQVPM-UHFFFAOYSA-N
XLogP0.72
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-(3,4-diaminoanilino)butanamide
CID 106750979
N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide
CID 79401055
4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide
CID 116796107
3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide
CID 79377004
3-[(2-aminopyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 80849638
6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid
CID 79400956
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 78918775
N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80835175
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568213
4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 114767803
4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 81245479
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide
CID 79386137

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide (CID 79825438) is N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide is Nc1ccc(NCCCC(=O)NC2CC2)nc1N.
What is the InChIKey of N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide?
The InChIKey is ZLFGQVXUEOQVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c13-9-5-6-10(17-12(9)14)15-7-1-2-11(18)16-8-3-4-8/h5-6,8H,1-4,7,13H2,(H,16,18)(H3,14,15,17).
What are the key properties of N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide?
N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide has a molecular weight of 249.32 g/mol, XLogP of 0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide is sourced from PubChem (CID 79825438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).