(2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid

C26H24FN5O3 — CID 67101044

IUPAC(2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid
SMILESN#Cc1ccccc1-c1ccc(C(=O)NC[C@H]2CCN2C(=O)O)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C26H24FN5O3/c27-19-6-3-4-17(14-19)10-12-29-24-22(25(33)30-16-20-11-13-32(20)26(34)35)8-9-23(31-24)21-7-2-1-5-18(21)15-28/h1-9,14,20H,10-13,16H2,(H,29,31)(H,30,33)(H,34,35)/t20-/m1/s1
InChIKeyCMOWSZDNJWGLIA-HXUWFJFHSA-N
MW473.51 g/mol
LogP3.90
Rot. Bonds8

About (2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid

(2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid (PubChem CID 67101044) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is (2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid
PubChem CID67101044
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name(2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid
SMILESN#Cc1ccccc1-c1ccc(C(=O)NC[C@H]2CCN2C(=O)O)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C26H24FN5O3/c27-19-6-3-4-17(14-19)10-12-29-24-22(25(33)30-16-20-11-13-32(20)26(34)35)8-9-23(31-24)21-7-2-1-5-18(21)15-28/h1-9,14,20H,10-13,16H2,(H,29,31)(H,30,33)(H,34,35)/t20-/m1/s1
InChIKeyCMOWSZDNJWGLIA-HXUWFJFHSA-N
XLogP3.90
TPSA118.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid with MolForge

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Related Compounds

N-[[1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 67101367
(2S)-2-[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]propanoic acid
CID 67101602
6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylic acid;6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;pyridin-3-ylmethanamine;hydroiodide
CID 158680747
butane;2-[5-but-1-en-2-yl-6-[2-(3-fluorophenyl)ethylamino]-2-pyridinyl]benzonitrile;heptane;2-methylprop-1-ene
CID 143621447
6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59740865
2-[6-(2-cyanophenyl)-2-[2-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67101980
N-[[(2R)-1-(3-aminopropyl)-5-oxopyrrolidin-2-yl]methyl]-5-fluoro-2-[2-(3-fluorophenyl)ethylamino]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 59740918
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59740961
N-[5-cyano-6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269203
N-[[1-[2-(3-fluorophenyl)benzoyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018299
6-[2-(3-fluorophenyl)ethylamino]-5-N-(pyridin-3-ylmethyl)pyridine-2,5-dicarboxamide
CID 59738255
(2S)-2-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 90117469

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid (CID 67101044) is (2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid is N#Cc1ccccc1-c1ccc(C(=O)NC[C@H]2CCN2C(=O)O)c(NCCc2cccc(F)c2)n1.
What is the InChIKey of (2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid?
The InChIKey is CMOWSZDNJWGLIA-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H24FN5O3/c27-19-6-3-4-17(14-19)10-12-29-24-22(25(33)30-16-20-11-13-32(20)26(34)35)8-9-23(31-24)21-7-2-1-5-18(21)15-28/h1-9,14,20H,10-13,16H2,(H,29,31)(H,30,33)(H,34,35)/t20-/m1/s1.
What are the key properties of (2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid?
(2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid has a molecular weight of 473.51 g/mol, XLogP of 3.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[[6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylic acid is sourced from PubChem (CID 67101044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).