3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H15ClN6O2 — CID 77080620

IUPAC3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2c(Cl)c(C(=O)NCCNC(=O)c3cccnc3)nn2c1
InChIInChI=1S/C16H15ClN6O2/c1-10-7-21-14-12(17)13(22-23(14)9-10)16(25)20-6-5-19-15(24)11-3-2-4-18-8-11/h2-4,7-9H,5-6H2,1H3,(H,19,24)(H,20,25)
InChIKeyXFUDOFABPVMFJW-UHFFFAOYSA-N
MW358.79 g/mol
LogP1.25
Rot. Bonds5

About 3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 77080620) has the molecular formula C16H15ClN6O2 and a molecular weight of 358.79 g/mol. Its IUPAC name is 3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID77080620
Molecular FormulaC16H15ClN6O2
Molecular Weight358.79 g/mol
Exact Mass358.09
IUPAC Name3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2c(Cl)c(C(=O)NCCNC(=O)c3cccnc3)nn2c1
InChIInChI=1S/C16H15ClN6O2/c1-10-7-21-14-12(17)13(22-23(14)9-10)16(25)20-6-5-19-15(24)11-3-2-4-18-8-11/h2-4,7-9H,5-6H2,1H3,(H,19,24)(H,20,25)
InChIKeyXFUDOFABPVMFJW-UHFFFAOYSA-N
XLogP1.25
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
6-methyl-N-[3-(pyridine-3-carbonylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 131923435
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 3338118
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(pyridine-3-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16765691
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide
CID 121119194
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-2-carboxamide
CID 39022305

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 77080620) is 3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cnc2c(Cl)c(C(=O)NCCNC(=O)c3cccnc3)nn2c1.
What is the InChIKey of 3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XFUDOFABPVMFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O2/c1-10-7-21-14-12(17)13(22-23(14)9-10)16(25)20-6-5-19-15(24)11-3-2-4-18-8-11/h2-4,7-9H,5-6H2,1H3,(H,19,24)(H,20,25).
What are the key properties of 3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 77080620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).