(2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide

C17H19ClN4O3 — CID 35972098

IUPAC(2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H19ClN4O3/c1-10(17(24)22-16-7-4-12(18)9-19-16)20-14-8-13(21-11(2)23)5-6-15(14)25-3/h4-10,20H,1-3H3,(H,21,23)(H,19,22,24)/t10-/m0/s1
InChIKeyXJJUFFCAJZNJCN-JTQLQIEISA-N
MW362.82 g/mol
LogP3.14
Rot. Bonds6

About (2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide

(2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide (PubChem CID 35972098) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is (2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide
PubChem CID35972098
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name(2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H19ClN4O3/c1-10(17(24)22-16-7-4-12(18)9-19-16)20-14-8-13(21-11(2)23)5-6-15(14)25-3/h4-10,20H,1-3H3,(H,21,23)(H,19,22,24)/t10-/m0/s1
InChIKeyXJJUFFCAJZNJCN-JTQLQIEISA-N
XLogP3.14
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide
CID 35968819
2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 17416791
(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxyanilino)propanamide
CID 25381199
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
N-[5-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 60542464
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2474098
methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 87033176
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide
CID 25381234
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572190
(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 7831164
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534958

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide?
The IUPAC name of (2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide (CID 35972098) is (2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide is COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of (2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide?
The InChIKey is XJJUFFCAJZNJCN-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19ClN4O3/c1-10(17(24)22-16-7-4-12(18)9-19-16)20-14-8-13(21-11(2)23)5-6-15(14)25-3/h4-10,20H,1-3H3,(H,21,23)(H,19,22,24)/t10-/m0/s1.
What are the key properties of (2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide?
(2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide has a molecular weight of 362.82 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide is sourced from PubChem (CID 35972098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).