4-(4-bromopyrazol-1-yl)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide

C17H16BrN7O2 — CID 138454244

IUPAC4-(4-bromopyrazol-1-yl)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(-n2cc(Br)cn2)c(C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C17H16BrN7O2/c1-2-20-17(27)24-15-6-14(25-10-11(18)7-22-25)13(9-21-15)16(26)23-12-4-3-5-19-8-12/h3-10H,2H2,1H3,(H,23,26)(H2,20,21,24,27)
InChIKeyMHDUFODFABPRAE-UHFFFAOYSA-N
MW430.27 g/mol
LogP2.82
Rot. Bonds5

About 4-(4-bromopyrazol-1-yl)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide

4-(4-bromopyrazol-1-yl)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 138454244) has the molecular formula C17H16BrN7O2 and a molecular weight of 430.27 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide
PubChem CID138454244
Molecular FormulaC17H16BrN7O2
Molecular Weight430.27 g/mol
Exact Mass429.05
IUPAC Name4-(4-bromopyrazol-1-yl)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(-n2cc(Br)cn2)c(C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C17H16BrN7O2/c1-2-20-17(27)24-15-6-14(25-10-11(18)7-22-25)13(9-21-15)16(26)23-12-4-3-5-19-8-12/h3-10H,2H2,1H3,(H,23,26)(H2,20,21,24,27)
InChIKeyMHDUFODFABPRAE-UHFFFAOYSA-N
XLogP2.82
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.27
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide (CID 138454244) is 4-(4-bromopyrazol-1-yl)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide is CCNC(=O)Nc1cc(-n2cc(Br)cn2)c(C(=O)Nc2cccnc2)cn1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is MHDUFODFABPRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN7O2/c1-2-20-17(27)24-15-6-14(25-10-11(18)7-22-25)13(9-21-15)16(26)23-12-4-3-5-19-8-12/h3-10H,2H2,1H3,(H,23,26)(H2,20,21,24,27).
What are the key properties of 4-(4-bromopyrazol-1-yl)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide?
4-(4-bromopyrazol-1-yl)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 430.27 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 138454244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).