3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]quinoline-2-carboxamide

C20H17N5O — CID 67323823

IUPAC3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]quinoline-2-carboxamide
SMILESCn1cc(-c2cc(Cc3cc4ccccc4nc3C(N)=O)ccn2)cn1
InChIInChI=1S/C20H17N5O/c1-25-12-16(11-23-25)18-9-13(6-7-22-18)8-15-10-14-4-2-3-5-17(14)24-19(15)20(21)26/h2-7,9-12H,8H2,1H3,(H2,21,26)
InChIKeyWWFARKJCHJHDKA-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.72
Rot. Bonds4

About 3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]quinoline-2-carboxamide

3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]quinoline-2-carboxamide (PubChem CID 67323823) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]quinoline-2-carboxamide
PubChem CID67323823
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]quinoline-2-carboxamide
SMILESCn1cc(-c2cc(Cc3cc4ccccc4nc3C(N)=O)ccn2)cn1
InChIInChI=1S/C20H17N5O/c1-25-12-16(11-23-25)18-9-13(6-7-22-18)8-15-10-14-4-2-3-5-17(14)24-19(15)20(21)26/h2-7,9-12H,8H2,1H3,(H2,21,26)
InChIKeyWWFARKJCHJHDKA-UHFFFAOYSA-N
XLogP2.72
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]quinoline-2-carboxamide?
The IUPAC name of 3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]quinoline-2-carboxamide (CID 67323823) is 3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]quinoline-2-carboxamide is Cn1cc(-c2cc(Cc3cc4ccccc4nc3C(N)=O)ccn2)cn1.
What is the InChIKey of 3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]quinoline-2-carboxamide?
The InChIKey is WWFARKJCHJHDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-25-12-16(11-23-25)18-9-13(6-7-22-18)8-15-10-14-4-2-3-5-17(14)24-19(15)20(21)26/h2-7,9-12H,8H2,1H3,(H2,21,26).
What are the key properties of 3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]quinoline-2-carboxamide?
3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]quinoline-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 67323823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).