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

C22H28N6O2 — CID 121416869

IUPACN-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide
SMILESCCN(CCN(C)c1cccc(C(C)(C)O)n1)C(=O)c1cccnc1-n1cccn1
InChIInChI=1S/C22H28N6O2/c1-5-27(16-15-26(4)19-11-6-10-18(25-19)22(2,3)30)21(29)17-9-7-12-23-20(17)28-14-8-13-24-28/h6-14,30H,5,15-16H2,1-4H3
InChIKeyLJUJFSKHXLMOOP-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.49
Rot. Bonds8

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

N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 121416869) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID121416869
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide
SMILESCCN(CCN(C)c1cccc(C(C)(C)O)n1)C(=O)c1cccnc1-n1cccn1
InChIInChI=1S/C22H28N6O2/c1-5-27(16-15-26(4)19-11-6-10-18(25-19)22(2,3)30)21(29)17-9-7-12-23-20(17)28-14-8-13-24-28/h6-14,30H,5,15-16H2,1-4H3
InChIKeyLJUJFSKHXLMOOP-UHFFFAOYSA-N
XLogP2.49
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide (CID 121416869) is N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide is CCN(CCN(C)c1cccc(C(C)(C)O)n1)C(=O)c1cccnc1-n1cccn1.
What is the InChIKey of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is LJUJFSKHXLMOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-5-27(16-15-26(4)19-11-6-10-18(25-19)22(2,3)30)21(29)17-9-7-12-23-20(17)28-14-8-13-24-28/h6-14,30H,5,15-16H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide?
N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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]-2-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 121416869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).