2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide

C14H15BrN4O — CID 82743986

IUPAC2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCCc1cccnc1CNC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H15BrN4O/c1-2-9-4-3-5-17-12(9)8-19-14(20)11-6-10(15)7-18-13(11)16/h3-7H,2,8H2,1H3,(H2,16,18)(H,19,20)
InChIKeyCSVDUWTWUMPLIA-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.31
Rot. Bonds4

About 2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide

2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 82743986) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID82743986
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCCc1cccnc1CNC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H15BrN4O/c1-2-9-4-3-5-17-12(9)8-19-14(20)11-6-10(15)7-18-13(11)16/h3-7H,2,8H2,1H3,(H2,16,18)(H,19,20)
InChIKeyCSVDUWTWUMPLIA-UHFFFAOYSA-N
XLogP2.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 64694166
2-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluorobenzamide
CID 82741369
2-amino-5-chloro-N-[(3-ethyl-2-pyridinyl)methyl]benzamide
CID 82741526
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62152678
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897715
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106854223
N-[(3-ethyl-2-pyridinyl)methyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 82734476
2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 55086307
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide
CID 114559709
N-[(3-ethyl-2-pyridinyl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070941
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide
CID 82733532

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide (CID 82743986) is 2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide is CCc1cccnc1CNC(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is CSVDUWTWUMPLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-2-9-4-3-5-17-12(9)8-19-14(20)11-6-10(15)7-18-13(11)16/h3-7H,2,8H2,1H3,(H2,16,18)(H,19,20).
What are the key properties of 2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide?
2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 82743986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).