N-ethyl-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C18H21N7O2 — CID 138516176

IUPACN-ethyl-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCNC(=O)N1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
InChIInChI=1S/C18H21N7O2/c1-2-19-18(26)24-7-5-13(6-8-24)15-11-21-17(25-12-22-23-16(15)25)20-10-14-4-3-9-27-14/h3-5,9,11-12H,2,6-8,10H2,1H3,(H,19,26)(H,20,21)
InChIKeyNUXDGTICHKUALT-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.15
Rot. Bonds5

About N-ethyl-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

N-ethyl-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 138516176) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-ethyl-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID138516176
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC NameN-ethyl-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCNC(=O)N1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1
InChIInChI=1S/C18H21N7O2/c1-2-19-18(26)24-7-5-13(6-8-24)15-11-21-17(25-12-22-23-16(15)25)20-10-14-4-3-9-27-14/h3-5,9,11-12H,2,6-8,10H2,1H3,(H,19,26)(H,20,21)
InChIKeyNUXDGTICHKUALT-UHFFFAOYSA-N
XLogP2.15
TPSA100.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-ethyl-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 138516176) is N-ethyl-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is CCNC(=O)N1CC=C(c2cnc(NCc3ccco3)n3cnnc23)CC1.
What is the InChIKey of N-ethyl-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is NUXDGTICHKUALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-2-19-18(26)24-7-5-13(6-8-24)15-11-21-17(25-12-22-23-16(15)25)20-10-14-4-3-9-27-14/h3-5,9,11-12H,2,6-8,10H2,1H3,(H,19,26)(H,20,21).
What are the key properties of N-ethyl-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
N-ethyl-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 138516176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).