N-(3-ethyl-1-methylpyrazol-4-yl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide

C17H18N4O2 — CID 136520319

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCCc1nn(C)cc1NC(=O)c1ccc(-c2ccco2)nc1C
InChIInChI=1S/C17H18N4O2/c1-4-13-15(10-21(3)20-13)19-17(22)12-7-8-14(18-11(12)2)16-6-5-9-23-16/h5-10H,4H2,1-3H3,(H,19,22)
InChIKeyMQODADLHDYLIFR-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.20
Rot. Bonds4

About N-(3-ethyl-1-methylpyrazol-4-yl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide

N-(3-ethyl-1-methylpyrazol-4-yl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide (PubChem CID 136520319) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
PubChem CID136520319
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCCc1nn(C)cc1NC(=O)c1ccc(-c2ccco2)nc1C
InChIInChI=1S/C17H18N4O2/c1-4-13-15(10-21(3)20-13)19-17(22)12-7-8-14(18-11(12)2)16-6-5-9-23-16/h5-10H,4H2,1-3H3,(H,19,22)
InChIKeyMQODADLHDYLIFR-UHFFFAOYSA-N
XLogP3.20
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide (CID 136520319) is N-(3-ethyl-1-methylpyrazol-4-yl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide is CCc1nn(C)cc1NC(=O)c1ccc(-c2ccco2)nc1C.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is MQODADLHDYLIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-4-13-15(10-21(3)20-13)19-17(22)12-7-8-14(18-11(12)2)16-6-5-9-23-16/h5-10H,4H2,1-3H3,(H,19,22).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 136520319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).