N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-phenylpyridine-2-carboxamide

C24H27N3O2 — CID 121413963

IUPACN-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-phenylpyridine-2-carboxamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ncccc1-c1ccccc1
InChIInChI=1S/C24H27N3O2/c1-4-27(17-15-19-12-8-14-21(26-19)24(2,3)29)23(28)22-20(13-9-16-25-22)18-10-6-5-7-11-18/h5-14,16,29H,4,15,17H2,1-3H3
InChIKeyQOCNLLOUCIUTAN-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.08
Rot. Bonds7

About N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-phenylpyridine-2-carboxamide

N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-phenylpyridine-2-carboxamide (PubChem CID 121413963) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-phenylpyridine-2-carboxamide
PubChem CID121413963
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-phenylpyridine-2-carboxamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ncccc1-c1ccccc1
InChIInChI=1S/C24H27N3O2/c1-4-27(17-15-19-12-8-14-21(26-19)24(2,3)29)23(28)22-20(13-9-16-25-22)18-10-6-5-7-11-18/h5-14,16,29H,4,15,17H2,1-3H3
InChIKeyQOCNLLOUCIUTAN-UHFFFAOYSA-N
XLogP4.08
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-3-phenylpyridine-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-phenylpyridine-2-carboxamide (CID 121413963) is N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-phenylpyridine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-phenylpyridine-2-carboxamide is CCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ncccc1-c1ccccc1.
What is the InChIKey of N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-phenylpyridine-2-carboxamide?
The InChIKey is QOCNLLOUCIUTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-27(17-15-19-12-8-14-21(26-19)24(2,3)29)23(28)22-20(13-9-16-25-22)18-10-6-5-7-11-18/h5-14,16,29H,4,15,17H2,1-3H3.
What are the key properties of N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-phenylpyridine-2-carboxamide?
N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-phenylpyridine-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-phenylpyridine-2-carboxamide is sourced from PubChem (CID 121413963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).