N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide

C21H27N7O2 — CID 121416962

IUPACN-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide
SMILESCCN(CCN(C)c1cccc(C(C)(C)O)n1)C(=O)c1nccnc1-n1cccn1
InChIInChI=1S/C21H27N7O2/c1-5-27(15-14-26(4)17-9-6-8-16(25-17)21(2,3)30)20(29)18-19(23-12-11-22-18)28-13-7-10-24-28/h6-13,30H,5,14-15H2,1-4H3
InChIKeyXJWQHPRCNHGOGD-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.88
Rot. Bonds8

About N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide

N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide (PubChem CID 121416962) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide
PubChem CID121416962
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC NameN-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide
SMILESCCN(CCN(C)c1cccc(C(C)(C)O)n1)C(=O)c1nccnc1-n1cccn1
InChIInChI=1S/C21H27N7O2/c1-5-27(15-14-26(4)17-9-6-8-16(25-17)21(2,3)30)20(29)18-19(23-12-11-22-18)28-13-7-10-24-28/h6-13,30H,5,14-15H2,1-4H3
InChIKeyXJWQHPRCNHGOGD-UHFFFAOYSA-N
XLogP1.88
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide (CID 121416962) is N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide is CCN(CCN(C)c1cccc(C(C)(C)O)n1)C(=O)c1nccnc1-n1cccn1.
What is the InChIKey of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide?
The InChIKey is XJWQHPRCNHGOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-5-27(15-14-26(4)17-9-6-8-16(25-17)21(2,3)30)20(29)18-19(23-12-11-22-18)28-13-7-10-24-28/h6-13,30H,5,14-15H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide?
N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-pyrazol-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 121416962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).