4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide

C13H19BrN4O — CID 104507008

IUPAC4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
SMILESCc1c(N)cnc(NCCCC(=O)NC2CC2)c1Br
InChIInChI=1S/C13H19BrN4O/c1-8-10(15)7-17-13(12(8)14)16-6-2-3-11(19)18-9-4-5-9/h7,9H,2-6,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyFRIOFLJCIHZENY-UHFFFAOYSA-N
MW327.23 g/mol
LogP2.21
Rot. Bonds6

About 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide

4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide (PubChem CID 104507008) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
PubChem CID104507008
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
SMILESCc1c(N)cnc(NCCCC(=O)NC2CC2)c1Br
InChIInChI=1S/C13H19BrN4O/c1-8-10(15)7-17-13(12(8)14)16-6-2-3-11(19)18-9-4-5-9/h7,9H,2-6,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyFRIOFLJCIHZENY-UHFFFAOYSA-N
XLogP2.21
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
CID 104506470
N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 79400749
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide
CID 113420397
3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine
CID 113420486
N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide
CID 79401058
3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 80849479
N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide
CID 114598970
N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide
CID 112703121
N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide
CID 79825438
N-cyclopropyl-3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide
CID 80922661
N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide
CID 112730869
4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 80849403

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide (CID 104507008) is 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide is Cc1c(N)cnc(NCCCC(=O)NC2CC2)c1Br.
What is the InChIKey of 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide?
The InChIKey is FRIOFLJCIHZENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-8-10(15)7-17-13(12(8)14)16-6-2-3-11(19)18-9-4-5-9/h7,9H,2-6,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide?
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide has a molecular weight of 327.23 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 104507008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).