5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide

C16H14BrN5O — CID 122245890

IUPAC5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCn1cc(-c2cc(CNC(=O)c3cncc(Br)c3)ccn2)cn1
InChIInChI=1S/C16H14BrN5O/c1-22-10-13(8-21-22)15-4-11(2-3-19-15)6-20-16(23)12-5-14(17)9-18-7-12/h2-5,7-10H,6H2,1H3,(H,20,23)
InChIKeySYIRSWKLXOPXSF-UHFFFAOYSA-N
MW372.23 g/mol
LogP2.57
Rot. Bonds4

About 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide

5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 122245890) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID122245890
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC Name5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCn1cc(-c2cc(CNC(=O)c3cncc(Br)c3)ccn2)cn1
InChIInChI=1S/C16H14BrN5O/c1-22-10-13(8-21-22)15-4-11(2-3-19-15)6-20-16(23)12-5-14(17)9-18-7-12/h2-5,7-10H,6H2,1H3,(H,20,23)
InChIKeySYIRSWKLXOPXSF-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide
CID 122245887
1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]urea
CID 122245913
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 122245898
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 126851451
1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 122245906
6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 122245900
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
CID 126851452
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 63861037
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 119105294
N-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
CID 171635920

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide (CID 122245890) is 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide is Cn1cc(-c2cc(CNC(=O)c3cncc(Br)c3)ccn2)cn1.
What is the InChIKey of 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is SYIRSWKLXOPXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c1-22-10-13(8-21-22)15-4-11(2-3-19-15)6-20-16(23)12-5-14(17)9-18-7-12/h2-5,7-10H,6H2,1H3,(H,20,23).
What are the key properties of 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide?
5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 372.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 122245890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).