5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide

C14H20N6O — CID 114536234

IUPAC5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide
SMILESCc1cc(C)n(CCCNc2ncc(N)cc2C(N)=O)n1
InChIInChI=1S/C14H20N6O/c1-9-6-10(2)20(19-9)5-3-4-17-14-12(13(16)21)7-11(15)8-18-14/h6-8H,3-5,15H2,1-2H3,(H2,16,21)(H,17,18)
InChIKeyBOJXZZIIZXACFO-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.08
Rot. Bonds6

About 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide

5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide (PubChem CID 114536234) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide
PubChem CID114536234
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide
SMILESCc1cc(C)n(CCCNc2ncc(N)cc2C(N)=O)n1
InChIInChI=1S/C14H20N6O/c1-9-6-10(2)20(19-9)5-3-4-17-14-12(13(16)21)7-11(15)8-18-14/h6-8H,3-5,15H2,1-2H3,(H2,16,21)(H,17,18)
InChIKeyBOJXZZIIZXACFO-UHFFFAOYSA-N
XLogP1.08
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylpyridine-2,5-diamine
CID 114536155
2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide
CID 114539587
5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide
CID 61357424
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrazine-2-carbothioamide
CID 114536969
5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide
CID 106309000
5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 112668337
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine
CID 114536202
3-bromo-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-amine
CID 114836170
5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carboxamide
CID 54951840
5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 115597258
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide
CID 114536137

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide (CID 114536234) is 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide is Cc1cc(C)n(CCCNc2ncc(N)cc2C(N)=O)n1.
What is the InChIKey of 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide?
The InChIKey is BOJXZZIIZXACFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9-6-10(2)20(19-9)5-3-4-17-14-12(13(16)21)7-11(15)8-18-14/h6-8H,3-5,15H2,1-2H3,(H2,16,21)(H,17,18).
What are the key properties of 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide?
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 114536234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).