N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H17N5O2 — CID 53184947

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ncccc1CN(C)C(=O)c1cnn2cccnc12
InChIInChI=1S/C16H17N5O2/c1-3-23-15-12(6-4-7-18-15)11-20(2)16(22)13-10-19-21-9-5-8-17-14(13)21/h4-10H,3,11H2,1-2H3
InChIKeyJNSGWCLGHCCWKW-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.80
Rot. Bonds5

About N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 53184947) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID53184947
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ncccc1CN(C)C(=O)c1cnn2cccnc12
InChIInChI=1S/C16H17N5O2/c1-3-23-15-12(6-4-7-18-15)11-20(2)16(22)13-10-19-21-9-5-8-17-14(13)21/h4-10H,3,11H2,1-2H3
InChIKeyJNSGWCLGHCCWKW-UHFFFAOYSA-N
XLogP1.80
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 53184947) is N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ncccc1CN(C)C(=O)c1cnn2cccnc12.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JNSGWCLGHCCWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-23-15-12(6-4-7-18-15)11-20(2)16(22)13-10-19-21-9-5-8-17-14(13)21/h4-10H,3,11H2,1-2H3.
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 53184947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).