4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide

C10H12N4O — CID 170473161

IUPAC4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide
SMILESCc1c(C#CCC(N)=O)cnc(N)c1N
InChIInChI=1S/C10H12N4O/c1-6-7(3-2-4-8(11)15)5-14-10(13)9(6)12/h5H,4,12H2,1H3,(H2,11,15)(H2,13,14)
InChIKeyJBJSBTUOBMPKLN-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.22
Rot. Bonds1

About 4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide

4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide (PubChem CID 170473161) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide.

Molecular Properties

Compound Name4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide
PubChem CID170473161
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide
SMILESCc1c(C#CCC(N)=O)cnc(N)c1N
InChIInChI=1S/C10H12N4O/c1-6-7(3-2-4-8(11)15)5-14-10(13)9(6)12/h5H,4,12H2,1H3,(H2,11,15)(H2,13,14)
InChIKeyJBJSBTUOBMPKLN-UHFFFAOYSA-N
XLogP-0.22
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorobut-1-ynyl)-4-methylpyridine-2,3-diamine
CID 170467874
4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide
CID 170472675
4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide
CID 170474123
4-(2-methyl-1H-imidazol-5-yl)but-3-ynamide
CID 170472428
4-(3-amino-2-methylphenyl)but-3-ynamide
CID 170472767
4-(4,5-diamino-2-methylphenyl)but-3-ynamide
CID 170472996
4-(2,3-dimethylphenyl)but-3-ynamide
CID 170472579
4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide
CID 170472760
4-(5-bromo-2-methylphenyl)but-3-ynamide
CID 170474091
4-(6-acetamido-2-methyl-3-pyridinyl)but-3-ynamide
CID 170473668
4-(2,4-dimethoxyphenyl)but-3-ynamide
CID 170473317
4-(5-amino-3-pyridinyl)but-3-ynamide
CID 170472473

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide?
The IUPAC name of 4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide (CID 170473161) is 4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide.
What is the SMILES notation for 4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide?
The canonical SMILES for 4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide is Cc1c(C#CCC(N)=O)cnc(N)c1N.
What is the InChIKey of 4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide?
The InChIKey is JBJSBTUOBMPKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-7(3-2-4-8(11)15)5-14-10(13)9(6)12/h5H,4,12H2,1H3,(H2,11,15)(H2,13,14).
What are the key properties of 4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide?
4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide has a molecular weight of 204.23 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide is sourced from PubChem (CID 170473161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).