2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide

C14H14BrN3O3 — CID 103752362

IUPAC2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cccnc2Br)cn1
InChIInChI=1S/C14H14BrN3O3/c1-20-7-8-21-12-5-4-10(9-17-12)18-14(19)11-3-2-6-16-13(11)15/h2-6,9H,7-8H2,1H3,(H,18,19)
InChIKeyUVSSUAMCKOXQCN-UHFFFAOYSA-N
MW352.19 g/mol
LogP2.52
Rot. Bonds6

About 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide

2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 103752362) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID103752362
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cccnc2Br)cn1
InChIInChI=1S/C14H14BrN3O3/c1-20-7-8-21-12-5-4-10(9-17-12)18-14(19)11-3-2-6-16-13(11)15/h2-6,9H,7-8H2,1H3,(H,18,19)
InChIKeyUVSSUAMCKOXQCN-UHFFFAOYSA-N
XLogP2.52
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 103754100
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 81228254
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 100773616
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrazine-2-carboxamide
CID 43069859
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 103752138
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 103754203
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 112733407
N-(6-methoxy-3-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167573
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
2-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569275

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide (CID 103752362) is 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide is COCCOc1ccc(NC(=O)c2cccnc2Br)cn1.
What is the InChIKey of 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is UVSSUAMCKOXQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-20-7-8-21-12-5-4-10(9-17-12)18-14(19)11-3-2-6-16-13(11)15/h2-6,9H,7-8H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide?
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 352.19 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 103752362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).