N-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide

C17H20N6O — CID 56907672

IUPACN-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide
SMILESCc1cc(NCCNC(=O)c2ccncc2)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H20N6O/c1-11-10-15(23-16(21-11)12(2)13(3)22-23)19-8-9-20-17(24)14-4-6-18-7-5-14/h4-7,10,19H,8-9H2,1-3H3,(H,20,24)
InChIKeyQGZXTRHGAGRFJC-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.89
Rot. Bonds5

About N-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide

N-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide (PubChem CID 56907672) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide
PubChem CID56907672
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide
SMILESCc1cc(NCCNC(=O)c2ccncc2)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H20N6O/c1-11-10-15(23-16(21-11)12(2)13(3)22-23)19-8-9-20-17(24)14-4-6-18-7-5-14/h4-7,10,19H,8-9H2,1-3H3,(H,20,24)
InChIKeyQGZXTRHGAGRFJC-UHFFFAOYSA-N
XLogP1.89
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-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

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56913756
2,3,5-trimethyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70729875
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
CID 122292993
N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-4-methylbenzamide
CID 60964745
N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 68891384
N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 3213301
N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 7402621
N-butylpyridine-4-carboxamide
CID 5030535
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide
CID 110873512
N-pentylpyridine-4-carboxamide
CID 2307296
N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 44754246
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
CID 2059815

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide (CID 56907672) is N-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide is Cc1cc(NCCNC(=O)c2ccncc2)n2nc(C)c(C)c2n1.
What is the InChIKey of N-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide?
The InChIKey is QGZXTRHGAGRFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-10-15(23-16(21-11)12(2)13(3)22-23)19-8-9-20-17(24)14-4-6-18-7-5-14/h4-7,10,19H,8-9H2,1-3H3,(H,20,24).
What are the key properties of N-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide?
N-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 56907672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).