5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide

C21H16ClN3O2 — CID 141125127

IUPAC5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C21H16ClN3O2/c1-14(16-7-3-2-4-8-16)25-20(26)19-11-17(22)13-24-21(19)27-18-9-5-6-15(10-18)12-23/h2-11,13-14H,1H3,(H,25,26)/t14-/m0/s1
InChIKeyVMJXUNGQIHRUKU-AWEZNQCLSA-N
MW377.83 g/mol
LogP4.89
Rot. Bonds5

About 5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide

5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide (PubChem CID 141125127) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
PubChem CID141125127
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C21H16ClN3O2/c1-14(16-7-3-2-4-8-16)25-20(26)19-11-17(22)13-24-21(19)27-18-9-5-6-15(10-18)12-23/h2-11,13-14H,1H3,(H,25,26)/t14-/m0/s1
InChIKeyVMJXUNGQIHRUKU-AWEZNQCLSA-N
XLogP4.89
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(1S)-1-[(5-chloro-2-phenoxypyridine-3-carbonyl)amino]ethyl]benzoate
CID 69417840
methyl 4-[(1S)-1-[[5-chloro-2-(3-chlorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoate
CID 69419054
4-[(1S)-1-[[5-chloro-2-(3,4-difluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 11697738
5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 141442192
4-[(1S)-1-[[5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 11539652
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide
CID 7964571
2-[(1S)-1-[[5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 141335108
methyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate
CID 69418387
5-chloro-N-[(1S)-1-[4-[(3-chlorophenyl)sulfonylcarbamoyl]phenyl]ethyl]-2-(3-fluorophenoxy)pyridine-3-carboxamide;4-[(1S)-1-[[5-chloro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 159540861
4-[(1S)-1-[[5-chloro-2-(2-chloro-4-methylphenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 58905327
tert-butyl 4-[(1S)-1-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbonyl]amino]ethyl]benzoate;4-[(1S)-1-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 158402131
4-[(1S)-1-[[5-chloro-2-[4-[2-(dimethylamino)ethyl]phenoxy]pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 58905357

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide (CID 141125127) is 5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide is C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(C#N)c1)c1ccccc1.
What is the InChIKey of 5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide?
The InChIKey is VMJXUNGQIHRUKU-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c1-14(16-7-3-2-4-8-16)25-20(26)19-11-17(22)13-24-21(19)27-18-9-5-6-15(10-18)12-23/h2-11,13-14H,1H3,(H,25,26)/t14-/m0/s1.
What are the key properties of 5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide?
5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 141125127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).