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5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide

C17H20N6O2 — CID 154846116

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(CN(C)C)o2)nnn1Cc1ccncc1
InChIInChI=1S/C17H20N6O2/c1-12-16(20-21-23(12)10-13-6-8-18-9-7-13)19-17(24)15-5-4-14(25-15)11-22(2)3/h4-9H,10-11H2,1-3H3,(H,19,24)
InChIKeyOZSCXJHGZIACTG-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.94
Rot. Bonds6

About 5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide

5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide (PubChem CID 154846116) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide
PubChem CID154846116
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(CN(C)C)o2)nnn1Cc1ccncc1
InChIInChI=1S/C17H20N6O2/c1-12-16(20-21-23(12)10-13-6-8-18-9-7-13)19-17(24)15-5-4-14(25-15)11-22(2)3/h4-9H,10-11H2,1-3H3,(H,19,24)
InChIKeyOZSCXJHGZIACTG-UHFFFAOYSA-N
XLogP1.94
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide?
The IUPAC name of 5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide (CID 154846116) is 5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide is Cc1c(NC(=O)c2ccc(CN(C)C)o2)nnn1Cc1ccncc1.
What is the InChIKey of 5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide?
The InChIKey is OZSCXJHGZIACTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12-16(20-21-23(12)10-13-6-8-18-9-7-13)19-17(24)15-5-4-14(25-15)11-22(2)3/h4-9H,10-11H2,1-3H3,(H,19,24).
What are the key properties of 5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide?
5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-N-[5-methyl-1-(pyridin-4-ylmethyl)triazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 154846116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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