(2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide

C15H15BrClN3O — CID 25392276

IUPAC(2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide
SMILESCc1cc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)ccc1Br
InChIInChI=1S/C15H15BrClN3O/c1-9-7-12(4-5-13(9)16)19-10(2)15(21)20-14-6-3-11(17)8-18-14/h3-8,10,19H,1-2H3,(H,18,20,21)/t10-/m1/s1
InChIKeyIEEHBDDGUOKKGX-SNVBAGLBSA-N
MW368.66 g/mol
LogP4.25
Rot. Bonds4

About (2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide

(2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide (PubChem CID 25392276) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is (2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide
PubChem CID25392276
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC Name(2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide
SMILESCc1cc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)ccc1Br
InChIInChI=1S/C15H15BrClN3O/c1-9-7-12(4-5-13(9)16)19-10(2)15(21)20-14-6-3-11(17)8-18-14/h3-8,10,19H,1-2H3,(H,18,20,21)/t10-/m1/s1
InChIKeyIEEHBDDGUOKKGX-SNVBAGLBSA-N
XLogP4.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide
CID 25381234
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(5-chloro-2-pyridinyl)propanamide
CID 35994682
methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 87033176
(2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 2571792
(2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide
CID 35972098
2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide
CID 17413409
(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide
CID 35968819
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
CID 7043625
(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxyanilino)propanamide
CID 25381199
2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 46667035
N-[5-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 60542464

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide?
The IUPAC name of (2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide (CID 25392276) is (2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide.
What is the SMILES notation for (2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide?
The canonical SMILES for (2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide is Cc1cc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)ccc1Br.
What is the InChIKey of (2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide?
The InChIKey is IEEHBDDGUOKKGX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-9-7-12(4-5-13(9)16)19-10(2)15(21)20-14-6-3-11(17)8-18-14/h3-8,10,19H,1-2H3,(H,18,20,21)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide?
(2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide has a molecular weight of 368.66 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide is sourced from PubChem (CID 25392276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).