N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-phenylpyridine-3-carboxamide

C22H27N5O2 — CID 121440244

IUPACN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-phenylpyridine-3-carboxamide
SMILESCCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1cccnc1-c1ccccc1
InChIInChI=1S/C22H27N5O2/c1-5-26(14-15-27-24-16(2)20(25-27)22(3,4)29)21(28)18-12-9-13-23-19(18)17-10-7-6-8-11-17/h6-13,29H,5,14-15H2,1-4H3
InChIKeyQDMZFAMMARBVGD-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.04
Rot. Bonds7

About N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-phenylpyridine-3-carboxamide

N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-phenylpyridine-3-carboxamide (PubChem CID 121440244) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-phenylpyridine-3-carboxamide
PubChem CID121440244
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-phenylpyridine-3-carboxamide
SMILESCCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1cccnc1-c1ccccc1
InChIInChI=1S/C22H27N5O2/c1-5-26(14-15-27-24-16(2)20(25-27)22(3,4)29)21(28)18-12-9-13-23-19(18)17-10-7-6-8-11-17/h6-13,29H,5,14-15H2,1-4H3
InChIKeyQDMZFAMMARBVGD-UHFFFAOYSA-N
XLogP3.04
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.04
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-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-phenylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-phenylpyridine-3-carboxamide (CID 121440244) is N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-phenylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-phenylpyridine-3-carboxamide is CCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1cccnc1-c1ccccc1.
What is the InChIKey of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-phenylpyridine-3-carboxamide?
The InChIKey is QDMZFAMMARBVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-5-26(14-15-27-24-16(2)20(25-27)22(3,4)29)21(28)18-12-9-13-23-19(18)17-10-7-6-8-11-17/h6-13,29H,5,14-15H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-phenylpyridine-3-carboxamide?
N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-phenylpyridine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.04, 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-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-phenylpyridine-3-carboxamide is sourced from PubChem (CID 121440244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).