2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C16H18N6O2 — CID 131912498

IUPAC2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NCCNc3ccncc3C)c(=O)n2[nH]1
InChIInChI=1S/C16H18N6O2/c1-10-8-17-4-3-13(10)18-5-6-19-15(23)12-9-20-14-7-11(2)21-22(14)16(12)24/h3-4,7-9,21H,5-6H2,1-2H3,(H,17,18)(H,19,23)
InChIKeyCRLPUSMASXDMAG-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.88
Rot. Bonds5

About 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 131912498) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID131912498
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NCCNc3ccncc3C)c(=O)n2[nH]1
InChIInChI=1S/C16H18N6O2/c1-10-8-17-4-3-13(10)18-5-6-19-15(23)12-9-20-14-7-11(2)21-22(14)16(12)24/h3-4,7-9,21H,5-6H2,1-2H3,(H,17,18)(H,19,23)
InChIKeyCRLPUSMASXDMAG-UHFFFAOYSA-N
XLogP0.88
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 131912498) is 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)NCCNc3ccncc3C)c(=O)n2[nH]1.
What is the InChIKey of 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is CRLPUSMASXDMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10-8-17-4-3-13(10)18-5-6-19-15(23)12-9-20-14-7-11(2)21-22(14)16(12)24/h3-4,7-9,21H,5-6H2,1-2H3,(H,17,18)(H,19,23).
What are the key properties of 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 131912498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).