4-(3-amino-5-chloro-2-pyridinyl)but-3-ynamide

C9H8ClN3O — CID 170472669

IUPAC4-(3-amino-5-chloro-2-pyridinyl)but-3-ynamide
SMILESNC(=O)CC#Cc1ncc(Cl)cc1N
InChIInChI=1S/C9H8ClN3O/c10-6-4-7(11)8(13-5-6)2-1-3-9(12)14/h4-5H,3,11H2,(H2,12,14)
InChIKeyUNVHJXWZWFMDKV-UHFFFAOYSA-N
MW209.64 g/mol
LogP0.54
Rot. Bonds1

About 4-(3-amino-5-chloro-2-pyridinyl)but-3-ynamide

4-(3-amino-5-chloro-2-pyridinyl)but-3-ynamide (PubChem CID 170472669) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 4-(3-amino-5-chloro-2-pyridinyl)but-3-ynamide.

Molecular Properties

Compound Name4-(3-amino-5-chloro-2-pyridinyl)but-3-ynamide
PubChem CID170472669
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name4-(3-amino-5-chloro-2-pyridinyl)but-3-ynamide
SMILESNC(=O)CC#Cc1ncc(Cl)cc1N
InChIInChI=1S/C9H8ClN3O/c10-6-4-7(11)8(13-5-6)2-1-3-9(12)14/h4-5H,3,11H2,(H2,12,14)
InChIKeyUNVHJXWZWFMDKV-UHFFFAOYSA-N
XLogP0.54
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide
CID 170472760
4-(4-amino-2,5-dichlorophenyl)but-3-ynamide
CID 170473099
4-(2,3,5-trichlorophenyl)but-3-ynamide
CID 170472839
2,5-dichloropyridin-3-amine
CID 2799999
4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide
CID 170472675
4-(5-amino-3-pyridinyl)but-3-ynamide
CID 170472473
4-(2,4-dichlorophenyl)but-3-ynamide
CID 170472586
4-pyrimidin-2-ylbut-3-ynamide
CID 170472431
2-(3-amino-5-chloro-2-pyridinyl)acetic acid
CID 55252749
4-(2-fluoropyrimidin-5-yl)but-3-ynamide
CID 170472464
4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol
CID 106840375
4-(2-chloro-3-pyridinyl)but-3-ynamide
CID 170472500

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-chloro-2-pyridinyl)but-3-ynamide?
The IUPAC name of 4-(3-amino-5-chloro-2-pyridinyl)but-3-ynamide (CID 170472669) is 4-(3-amino-5-chloro-2-pyridinyl)but-3-ynamide.
What is the SMILES notation for 4-(3-amino-5-chloro-2-pyridinyl)but-3-ynamide?
The canonical SMILES for 4-(3-amino-5-chloro-2-pyridinyl)but-3-ynamide is NC(=O)CC#Cc1ncc(Cl)cc1N.
What is the InChIKey of 4-(3-amino-5-chloro-2-pyridinyl)but-3-ynamide?
The InChIKey is UNVHJXWZWFMDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-6-4-7(11)8(13-5-6)2-1-3-9(12)14/h4-5H,3,11H2,(H2,12,14).
What are the key properties of 4-(3-amino-5-chloro-2-pyridinyl)but-3-ynamide?
4-(3-amino-5-chloro-2-pyridinyl)but-3-ynamide has a molecular weight of 209.64 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-chloro-2-pyridinyl)but-3-ynamide is sourced from PubChem (CID 170472669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).