3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide

C10H13BrClN3O — CID 103580195

IUPAC3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ncc(Br)cc1Cl
InChIInChI=1S/C10H13BrClN3O/c1-13-9(16)3-4-15(2)10-8(12)5-7(11)6-14-10/h5-6H,3-4H2,1-2H3,(H,13,16)
InChIKeyUCBLTACIXKXINH-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.07
Rot. Bonds4

About 3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide

3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide (PubChem CID 103580195) has the molecular formula C10H13BrClN3O and a molecular weight of 306.59 g/mol. Its IUPAC name is 3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
PubChem CID103580195
Molecular FormulaC10H13BrClN3O
Molecular Weight306.59 g/mol
Exact Mass304.99
IUPAC Name3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ncc(Br)cc1Cl
InChIInChI=1S/C10H13BrClN3O/c1-13-9(16)3-4-15(2)10-8(12)5-7(11)6-14-10/h5-6H,3-4H2,1-2H3,(H,13,16)
InChIKeyUCBLTACIXKXINH-UHFFFAOYSA-N
XLogP2.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]propanethioamide
CID 103582230
2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide
CID 103583156
3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106914216
3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 103756780
5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 106916049
3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide
CID 106914145
4-chloro-N,6-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 113268050
ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate
CID 79718648
2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide
CID 63873061
3-[[5-(hydroxymethyl)pyrimidin-2-yl]-methylamino]-N-methylpropanamide
CID 106916351
N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
CID 103584238
6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide
CID 133292141

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide (CID 103580195) is 3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1ncc(Br)cc1Cl.
What is the InChIKey of 3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide?
The InChIKey is UCBLTACIXKXINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3O/c1-13-9(16)3-4-15(2)10-8(12)5-7(11)6-14-10/h5-6H,3-4H2,1-2H3,(H,13,16).
What are the key properties of 3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide?
3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide has a molecular weight of 306.59 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 103580195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).