(2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide

C17H20ClN3O2 — CID 96548422

IUPAC(2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide
SMILESCC(C)Oc1ccc(N[C@H](C)C(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C17H20ClN3O2/c1-11(2)23-16-9-8-13(10-19-16)20-12(3)17(22)21-15-7-5-4-6-14(15)18/h4-12,20H,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyMTKLLNWVHUZXRL-GFCCVEGCSA-N
MW333.82 g/mol
LogP3.96
Rot. Bonds6

About (2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide

(2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide (PubChem CID 96548422) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide
PubChem CID96548422
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide
SMILESCC(C)Oc1ccc(N[C@H](C)C(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C17H20ClN3O2/c1-11(2)23-16-9-8-13(10-19-16)20-12(3)17(22)21-15-7-5-4-6-14(15)18/h4-12,20H,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyMTKLLNWVHUZXRL-GFCCVEGCSA-N
XLogP3.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 51242355
(2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25343912
N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 110900389
N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 46512777
2-[4-[acetyl(methyl)amino]anilino]-N-(2-chlorophenyl)propanamide
CID 86861166
2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 47018355
N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
CID 18289314
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 37309301
(2R)-N-(3,5-dimethoxyphenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25345790
(2R)-N-(2-chlorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25361158
(2R)-1-morpholin-4-yl-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propan-1-one
CID 95579028

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide?
The IUPAC name of (2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide (CID 96548422) is (2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide.
What is the SMILES notation for (2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide?
The canonical SMILES for (2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide is CC(C)Oc1ccc(N[C@H](C)C(=O)Nc2ccccc2Cl)cn1.
What is the InChIKey of (2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide?
The InChIKey is MTKLLNWVHUZXRL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11(2)23-16-9-8-13(10-19-16)20-12(3)17(22)21-15-7-5-4-6-14(15)18/h4-12,20H,1-3H3,(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide?
(2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide has a molecular weight of 333.82 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide is sourced from PubChem (CID 96548422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).