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

C21H25N5O2 — CID 121413934

IUPACN-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1cccnc1-n1cccn1
InChIInChI=1S/C21H25N5O2/c1-4-25(15-11-16-8-5-10-18(24-16)21(2,3)28)20(27)17-9-6-12-22-19(17)26-14-7-13-23-26/h5-10,12-14,28H,4,11,15H2,1-3H3
InChIKeyVRKWJHRJMCCLQV-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.59
Rot. Bonds7

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

N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 121413934) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID121413934
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1cccnc1-n1cccn1
InChIInChI=1S/C21H25N5O2/c1-4-25(15-11-16-8-5-10-18(24-16)21(2,3)28)20(27)17-9-6-12-22-19(17)26-14-7-13-23-26/h5-10,12-14,28H,4,11,15H2,1-3H3
InChIKeyVRKWJHRJMCCLQV-UHFFFAOYSA-N
XLogP2.59
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide (CID 121413934) is N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide is CCN(CCc1cccc(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]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is VRKWJHRJMCCLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-25(15-11-16-8-5-10-18(24-16)21(2,3)28)20(27)17-9-6-12-22-19(17)26-14-7-13-23-26/h5-10,12-14,28H,4,11,15H2,1-3H3.
What are the key properties of N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide?
N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 121413934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).