N-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide

C16H15BrN6O — CID 142350876

IUPACN-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(C(=O)Nc2cc(Br)ccn2)n1
InChIInChI=1S/C16H15BrN6O/c1-10(2)23-9-19-22-15(23)12-4-3-5-13(20-12)16(24)21-14-8-11(17)6-7-18-14/h3-10H,1-2H3,(H,18,21,24)
InChIKeyNYVCESFESGATAT-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.33
Rot. Bonds4

About N-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide

N-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide (PubChem CID 142350876) has the molecular formula C16H15BrN6O and a molecular weight of 387.24 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
PubChem CID142350876
Molecular FormulaC16H15BrN6O
Molecular Weight387.24 g/mol
Exact Mass386.05
IUPAC NameN-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(C(=O)Nc2cc(Br)ccn2)n1
InChIInChI=1S/C16H15BrN6O/c1-10(2)23-9-19-22-15(23)12-4-3-5-13(20-12)16(24)21-14-8-11(17)6-7-18-14/h3-10H,1-2H3,(H,18,21,24)
InChIKeyNYVCESFESGATAT-UHFFFAOYSA-N
XLogP3.33
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

7-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide
CID 169227713
2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid
CID 155230978
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-2-carboxamide
CID 169227714
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-1-carboxamide
CID 169227716
5-bromo-N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-2-carboxamide
CID 135347773
1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide
CID 153449802
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyrimidin-4-ylamino)benzamide
CID 135348307
2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 156635533
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155521986
5-[(5-bromo-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;hydrochloride
CID 146345591
ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide
CID 142483445
3-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
CID 155671011

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide (CID 142350876) is N-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide is CC(C)n1cnnc1-c1cccc(C(=O)Nc2cc(Br)ccn2)n1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide?
The InChIKey is NYVCESFESGATAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN6O/c1-10(2)23-9-19-22-15(23)12-4-3-5-13(20-12)16(24)21-14-8-11(17)6-7-18-14/h3-10H,1-2H3,(H,18,21,24).
What are the key properties of N-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide?
N-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide has a molecular weight of 387.24 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 142350876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).