2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide

C12H17BrClN3O — CID 103582611

IUPAC2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C12H17BrClN3O/c1-7(2)5-16-12(18)8(3)17-11-10(14)4-9(13)6-15-11/h4,6-8H,5H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyPEAJBQMIACLFAS-UHFFFAOYSA-N
MW334.65 g/mol
LogP3.07
Rot. Bonds5

About 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide

2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 103582611) has the molecular formula C12H17BrClN3O and a molecular weight of 334.65 g/mol. Its IUPAC name is 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
PubChem CID103582611
Molecular FormulaC12H17BrClN3O
Molecular Weight334.65 g/mol
Exact Mass333.02
IUPAC Name2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C12H17BrClN3O/c1-7(2)5-16-12(18)8(3)17-11-10(14)4-9(13)6-15-11/h4,6-8H,5H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyPEAJBQMIACLFAS-UHFFFAOYSA-N
XLogP3.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.65
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide
CID 103582387
(2S)-2-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 122049570
5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine
CID 103584101
2-[(6-amino-5-bromopyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 114072700
5-bromo-3-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 103582444
5-bromo-3-chloro-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]pyridin-2-amine
CID 124681216
5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine
CID 124681252
2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 61480118
5-bromo-N-but-3-yn-2-yl-3-chloropyridin-2-amine
CID 103582656
(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide
CID 28840479
5-bromo-3-chloro-N-(1-ethylsulfanylpropan-2-yl)pyridin-2-amine
CID 103582641
6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide
CID 94588614

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide (CID 103582611) is 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Nc1ncc(Br)cc1Cl.
What is the InChIKey of 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is PEAJBQMIACLFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClN3O/c1-7(2)5-16-12(18)8(3)17-11-10(14)4-9(13)6-15-11/h4,6-8H,5H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide?
2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 334.65 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 103582611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).