2-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-N-cyclopropylacetamide

C12H15BrN4O2 — CID 86800148

IUPAC2-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-N-cyclopropylacetamide
SMILESCc1nc(NC(=O)NCC(=O)NC2CC2)ccc1Br
InChIInChI=1S/C12H15BrN4O2/c1-7-9(13)4-5-10(15-7)17-12(19)14-6-11(18)16-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,16,18)(H2,14,15,17,19)
InChIKeyJTLTYILTPRLSEU-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.55
Rot. Bonds4

About 2-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-N-cyclopropylacetamide

2-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-N-cyclopropylacetamide (PubChem CID 86800148) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-N-cyclopropylacetamide
PubChem CID86800148
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Name2-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-N-cyclopropylacetamide
SMILESCc1nc(NC(=O)NCC(=O)NC2CC2)ccc1Br
InChIInChI=1S/C12H15BrN4O2/c1-7-9(13)4-5-10(15-7)17-12(19)14-6-11(18)16-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,16,18)(H2,14,15,17,19)
InChIKeyJTLTYILTPRLSEU-UHFFFAOYSA-N
XLogP1.55
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-N-cyclopropylacetamide (CID 86800148) is 2-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-N-cyclopropylacetamide is Cc1nc(NC(=O)NCC(=O)NC2CC2)ccc1Br.
What is the InChIKey of 2-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-N-cyclopropylacetamide?
The InChIKey is JTLTYILTPRLSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c1-7-9(13)4-5-10(15-7)17-12(19)14-6-11(18)16-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,16,18)(H2,14,15,17,19).
What are the key properties of 2-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-N-cyclopropylacetamide?
2-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-N-cyclopropylacetamide has a molecular weight of 327.18 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 86800148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).