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

C24H27N3O2 — CID 121413918

IUPACN-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-phenylpyridine-3-carboxamide
SMILESCCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1cccnc1-c1ccccc1
InChIInChI=1S/C24H27N3O2/c1-4-27(16-14-20-13-12-19(17-26-20)24(2,3)29)23(28)21-11-8-15-25-22(21)18-9-6-5-7-10-18/h5-13,15,17,29H,4,14,16H2,1-3H3
InChIKeyDGFNBZKEYBBIAC-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.08
Rot. Bonds7

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

N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-phenylpyridine-3-carboxamide (PubChem CID 121413918) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-phenylpyridine-3-carboxamide
PubChem CID121413918
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-phenylpyridine-3-carboxamide
SMILESCCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1cccnc1-c1ccccc1
InChIInChI=1S/C24H27N3O2/c1-4-27(16-14-20-13-12-19(17-26-20)24(2,3)29)23(28)21-11-8-15-25-22(21)18-9-6-5-7-10-18/h5-13,15,17,29H,4,14,16H2,1-3H3
InChIKeyDGFNBZKEYBBIAC-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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Related Compounds

Soticlestat
CID 73437845
(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
2,2'-Bipyridine-3,3'-dicarboxylic Acid
CID 681885
6-Phenylnicotinic acid
CID 120118
1-Oxo-2-(2-pyridinylmethyl)-1,2-dihydro-4-isoquinolinecarboxylic acid
CID 1487908
2-{3-[4-(Pyridin-2-yl)phenyl]propanamido}benzoic acid
CID 11566404
4'-[(2-Phenylethyl)carbamoyl][2,2'-Bipyridine]-4-Carboxylic Acid
CID 45378188
(2,2'-Bipyridine)-5-carboxylic acid
CID 192752
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-quinolin-6-ylmethanone
CID 54581223
[4-(3-Hydroxy-3,3-diphenyl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 9889462
[4-(3-Hydroxy-3-phenyl-3-pyridin-3-yl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10411043
[4-(3-Hydroxy-3-phenyl-butyryl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10474804

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-phenylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-phenylpyridine-3-carboxamide (CID 121413918) is N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-phenylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-phenylpyridine-3-carboxamide is CCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1cccnc1-c1ccccc1.
What is the InChIKey of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-phenylpyridine-3-carboxamide?
The InChIKey is DGFNBZKEYBBIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-27(16-14-20-13-12-19(17-26-20)24(2,3)29)23(28)21-11-8-15-25-22(21)18-9-6-5-7-10-18/h5-13,15,17,29H,4,14,16H2,1-3H3.
What are the key properties of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-phenylpyridine-3-carboxamide?
N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-phenylpyridine-3-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-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-phenylpyridine-3-carboxamide is sourced from PubChem (CID 121413918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).