6-[furan-3-ylmethyl(methyl)amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

C21H30N4O2 — CID 56739749

IUPAC6-[furan-3-ylmethyl(methyl)amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCC(C)CN1CCC(CNC(=O)c2ccc(N(C)Cc3ccoc3)nc2)C1
InChIInChI=1S/C21H30N4O2/c1-16(2)12-25-8-6-17(14-25)10-23-21(26)19-4-5-20(22-11-19)24(3)13-18-7-9-27-15-18/h4-5,7,9,11,15-17H,6,8,10,12-14H2,1-3H3,(H,23,26)
InChIKeyXPRDRPJCZJGEHL-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.02
Rot. Bonds8

About 6-[furan-3-ylmethyl(methyl)amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

6-[furan-3-ylmethyl(methyl)amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 56739749) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 6-[furan-3-ylmethyl(methyl)amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[furan-3-ylmethyl(methyl)amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID56739749
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name6-[furan-3-ylmethyl(methyl)amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCC(C)CN1CCC(CNC(=O)c2ccc(N(C)Cc3ccoc3)nc2)C1
InChIInChI=1S/C21H30N4O2/c1-16(2)12-25-8-6-17(14-25)10-23-21(26)19-4-5-20(22-11-19)24(3)13-18-7-9-27-15-18/h4-5,7,9,11,15-17H,6,8,10,12-14H2,1-3H3,(H,23,26)
InChIKeyXPRDRPJCZJGEHL-UHFFFAOYSA-N
XLogP3.02
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[furan-3-ylmethyl(methyl)amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[furan-3-ylmethyl(methyl)amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (CID 56739749) is 6-[furan-3-ylmethyl(methyl)amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[furan-3-ylmethyl(methyl)amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[furan-3-ylmethyl(methyl)amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is CC(C)CN1CCC(CNC(=O)c2ccc(N(C)Cc3ccoc3)nc2)C1.
What is the InChIKey of 6-[furan-3-ylmethyl(methyl)amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is XPRDRPJCZJGEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16(2)12-25-8-6-17(14-25)10-23-21(26)19-4-5-20(22-11-19)24(3)13-18-7-9-27-15-18/h4-5,7,9,11,15-17H,6,8,10,12-14H2,1-3H3,(H,23,26).
What are the key properties of 6-[furan-3-ylmethyl(methyl)amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
6-[furan-3-ylmethyl(methyl)amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[furan-3-ylmethyl(methyl)amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56739749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).