[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate

C19H20ClN3O4 — CID 2582612

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H20ClN3O4/c1-12(2)17(23-18(25)13-6-4-3-5-7-13)19(26)27-11-16(24)22-15-9-8-14(20)10-21-15/h3-10,12,17H,11H2,1-2H3,(H,23,25)(H,21,22,24)/t17-/m0/s1
InChIKeyTYBZIRBESMHQAA-KRWDZBQOSA-N
MW389.84 g/mol
LogP2.67
Rot. Bonds7

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate (PubChem CID 2582612) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
PubChem CID2582612
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H20ClN3O4/c1-12(2)17(23-18(25)13-6-4-3-5-7-13)19(26)27-11-16(24)22-15-9-8-14(20)10-21-15/h3-10,12,17H,11H2,1-2H3,(H,23,25)(H,21,22,24)/t17-/m0/s1
InChIKeyTYBZIRBESMHQAA-KRWDZBQOSA-N
XLogP2.67
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate with MolForge

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Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 4266452
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 42901361
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate
CID 2436111
4-chloro-N-[1-[(5-chloro-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 43019519
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 2378628
[2-(ethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582740
[2-(tert-butylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582731
[2-(3,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2583030
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-methylbutanoate
CID 2582658
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-benzamidobutanoate
CID 46819689
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-benzamido-3-methylbutanoate
CID 55315824
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate
CID 2582854

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate (CID 2582612) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate is CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate?
The InChIKey is TYBZIRBESMHQAA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-12(2)17(23-18(25)13-6-4-3-5-7-13)19(26)27-11-16(24)22-15-9-8-14(20)10-21-15/h3-10,12,17H,11H2,1-2H3,(H,23,25)(H,21,22,24)/t17-/m0/s1.
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate has a molecular weight of 389.84 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate is sourced from PubChem (CID 2582612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).