(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide

C16H18ClN3O2 — CID 35968819

IUPAC(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide
SMILESCOc1ccc(C)cc1N[C@H](C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H18ClN3O2/c1-10-4-6-14(22-3)13(8-10)19-11(2)16(21)20-15-7-5-12(17)9-18-15/h4-9,11,19H,1-3H3,(H,18,20,21)/t11-/m1/s1
InChIKeyHLQAOADRRDOBQZ-LLVKDONJSA-N
MW319.79 g/mol
LogP3.49
Rot. Bonds5

About (2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide

(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide (PubChem CID 35968819) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide
PubChem CID35968819
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide
SMILESCOc1ccc(C)cc1N[C@H](C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H18ClN3O2/c1-10-4-6-14(22-3)13(8-10)19-11(2)16(21)20-15-7-5-12(17)9-18-15/h4-9,11,19H,1-3H3,(H,18,20,21)/t11-/m1/s1
InChIKeyHLQAOADRRDOBQZ-LLVKDONJSA-N
XLogP3.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide
CID 35972098
(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxyanilino)propanamide
CID 25381199
N-[5-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 60542464
methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 87033176
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572190
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
(2S)-N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-5-methylanilino)propanamide
CID 7986614
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide
CID 30376996
2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 17416791
(2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide
CID 25392276
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide
CID 25381234
2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113511

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide (CID 35968819) is (2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide is COc1ccc(C)cc1N[C@H](C)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of (2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide?
The InChIKey is HLQAOADRRDOBQZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-10-4-6-14(22-3)13(8-10)19-11(2)16(21)20-15-7-5-12(17)9-18-15/h4-9,11,19H,1-3H3,(H,18,20,21)/t11-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide?
(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide has a molecular weight of 319.79 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide is sourced from PubChem (CID 35968819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).