5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide

C14H18BrN5O — CID 62184957

IUPAC5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C14H18BrN5O/c1-4-16-13-11(7-10(15)8-17-13)14(21)19-12-5-6-18-20(12)9(2)3/h5-9H,4H2,1-3H3,(H,16,17)(H,19,21)
InChIKeyPQKBOEODUUJYJM-UHFFFAOYSA-N
MW352.24 g/mol
LogP3.31
Rot. Bonds5

About 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide

5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide (PubChem CID 62184957) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide
PubChem CID62184957
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C14H18BrN5O/c1-4-16-13-11(7-10(15)8-17-13)14(21)19-12-5-6-18-20(12)9(2)3/h5-9H,4H2,1-3H3,(H,16,17)(H,19,21)
InChIKeyPQKBOEODUUJYJM-UHFFFAOYSA-N
XLogP3.31
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 138454244
6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 138454245
N-(2,4-difluorophenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3567091
5-bromo-N-(5-methyl-2-pyridinyl)nicotinamide
CID 17394683
N-(5-bromo-6-methylpyridin-2-yl)pyridine-3-carboxamide
CID 936022
6-bromo-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 86703409
N,N-Dimethyl-6-(1H-pyrazol-1-yl)-3-pyridinecarboxamide
CID 3758868
5-Bromo-N-(2-pyridinyl)nicotinamide
CID 3929904
(4-methylpiperazino)[6-(1H-pyrazol-1-yl)-3-pyridinyl]methanone
CID 3758761
N-(4-methylphenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 4298772
5-bromo-N-(5-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 118716971
5-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 118716975

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide (CID 62184957) is 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide is CCNc1ncc(Br)cc1C(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide?
The InChIKey is PQKBOEODUUJYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-4-16-13-11(7-10(15)8-17-13)14(21)19-12-5-6-18-20(12)9(2)3/h5-9H,4H2,1-3H3,(H,16,17)(H,19,21).
What are the key properties of 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide?
5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide has a molecular weight of 352.24 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62184957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).