2-(furan-2-ylmethylamino)-6-methyl-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide

C21H23N3O2 — CID 134142064

IUPAC2-(furan-2-ylmethylamino)-6-methyl-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)(C)c2ccccc2)c(NCc2ccco2)n1
InChIInChI=1S/C21H23N3O2/c1-15-11-12-18(19(23-15)22-14-17-10-7-13-26-17)20(25)24-21(2,3)16-8-5-4-6-9-16/h4-13H,14H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyACHUFOPJYFVZGX-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.26
Rot. Bonds6

About 2-(furan-2-ylmethylamino)-6-methyl-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide

2-(furan-2-ylmethylamino)-6-methyl-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide (PubChem CID 134142064) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-6-methyl-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-6-methyl-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
PubChem CID134142064
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(furan-2-ylmethylamino)-6-methyl-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)(C)c2ccccc2)c(NCc2ccco2)n1
InChIInChI=1S/C21H23N3O2/c1-15-11-12-18(19(23-15)22-14-17-10-7-13-26-17)20(25)24-21(2,3)16-8-5-4-6-9-16/h4-13H,14H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyACHUFOPJYFVZGX-UHFFFAOYSA-N
XLogP4.26
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-6-methyl-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-6-methyl-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide (CID 134142064) is 2-(furan-2-ylmethylamino)-6-methyl-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-6-methyl-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-6-methyl-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide is Cc1ccc(C(=O)NC(C)(C)c2ccccc2)c(NCc2ccco2)n1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-6-methyl-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide?
The InChIKey is ACHUFOPJYFVZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-11-12-18(19(23-15)22-14-17-10-7-13-26-17)20(25)24-21(2,3)16-8-5-4-6-9-16/h4-13H,14H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 2-(furan-2-ylmethylamino)-6-methyl-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide?
2-(furan-2-ylmethylamino)-6-methyl-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-6-methyl-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 134142064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).