2-amino-3-(5-bromo-3-pyridinyl)-N-(1-pyridin-4-ylethyl)propanamide

C15H17BrN4O — CID 166276302

IUPAC2-amino-3-(5-bromo-3-pyridinyl)-N-(1-pyridin-4-ylethyl)propanamide
SMILESCC(NC(=O)C(N)Cc1cncc(Br)c1)c1ccncc1
InChIInChI=1S/C15H17BrN4O/c1-10(12-2-4-18-5-3-12)20-15(21)14(17)7-11-6-13(16)9-19-8-11/h2-6,8-10,14H,7,17H2,1H3,(H,20,21)
InChIKeyBSWZHXSQJCWPSR-UHFFFAOYSA-N
MW349.23 g/mol
LogP1.99
Rot. Bonds5

About 2-amino-3-(5-bromo-3-pyridinyl)-N-(1-pyridin-4-ylethyl)propanamide

2-amino-3-(5-bromo-3-pyridinyl)-N-(1-pyridin-4-ylethyl)propanamide (PubChem CID 166276302) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-amino-3-(5-bromo-3-pyridinyl)-N-(1-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(5-bromo-3-pyridinyl)-N-(1-pyridin-4-ylethyl)propanamide
PubChem CID166276302
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name2-amino-3-(5-bromo-3-pyridinyl)-N-(1-pyridin-4-ylethyl)propanamide
SMILESCC(NC(=O)C(N)Cc1cncc(Br)c1)c1ccncc1
InChIInChI=1S/C15H17BrN4O/c1-10(12-2-4-18-5-3-12)20-15(21)14(17)7-11-6-13(16)9-19-8-11/h2-6,8-10,14H,7,17H2,1H3,(H,20,21)
InChIKeyBSWZHXSQJCWPSR-UHFFFAOYSA-N
XLogP1.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide
CID 93096829
2-amino-N-[(1S)-1-pyridin-4-ylethyl]hexanamide
CID 81409725
(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 107570248
2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 76893776
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]butanamide
CID 81359924
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 81410169
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 104801242
3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81409558
2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 104905410
(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212809
(2S)-2-amino-N-[1-(3-bromophenyl)ethyl]butanamide
CID 79025388

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-bromo-3-pyridinyl)-N-(1-pyridin-4-ylethyl)propanamide?
The IUPAC name of 2-amino-3-(5-bromo-3-pyridinyl)-N-(1-pyridin-4-ylethyl)propanamide (CID 166276302) is 2-amino-3-(5-bromo-3-pyridinyl)-N-(1-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 2-amino-3-(5-bromo-3-pyridinyl)-N-(1-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 2-amino-3-(5-bromo-3-pyridinyl)-N-(1-pyridin-4-ylethyl)propanamide is CC(NC(=O)C(N)Cc1cncc(Br)c1)c1ccncc1.
What is the InChIKey of 2-amino-3-(5-bromo-3-pyridinyl)-N-(1-pyridin-4-ylethyl)propanamide?
The InChIKey is BSWZHXSQJCWPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-10(12-2-4-18-5-3-12)20-15(21)14(17)7-11-6-13(16)9-19-8-11/h2-6,8-10,14H,7,17H2,1H3,(H,20,21).
What are the key properties of 2-amino-3-(5-bromo-3-pyridinyl)-N-(1-pyridin-4-ylethyl)propanamide?
2-amino-3-(5-bromo-3-pyridinyl)-N-(1-pyridin-4-ylethyl)propanamide has a molecular weight of 349.23 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-bromo-3-pyridinyl)-N-(1-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 166276302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).