N-[5-[(5-methylfuran-2-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide

C18H16N6O2 — CID 59437542

IUPACN-[5-[(5-methylfuran-2-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(CNc2cccc3nc(NC(=O)c4cccnc4)nn23)o1
InChIInChI=1S/C18H16N6O2/c1-12-7-8-14(26-12)11-20-15-5-2-6-16-21-18(23-24(15)16)22-17(25)13-4-3-9-19-10-13/h2-10,20H,11H2,1H3,(H,22,23,25)
InChIKeyHENKESZYGNHZHD-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.89
Rot. Bonds5

About N-[5-[(5-methylfuran-2-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide

N-[5-[(5-methylfuran-2-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 59437542) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[5-[(5-methylfuran-2-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(5-methylfuran-2-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
PubChem CID59437542
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-[5-[(5-methylfuran-2-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(CNc2cccc3nc(NC(=O)c4cccnc4)nn23)o1
InChIInChI=1S/C18H16N6O2/c1-12-7-8-14(26-12)11-20-15-5-2-6-16-21-18(23-24(15)16)22-17(25)13-4-3-9-19-10-13/h2-10,20H,11H2,1H3,(H,22,23,25)
InChIKeyHENKESZYGNHZHD-UHFFFAOYSA-N
XLogP2.89
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-methylfuran-2-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[(5-methylfuran-2-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide (CID 59437542) is N-[5-[(5-methylfuran-2-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(5-methylfuran-2-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(5-methylfuran-2-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide is Cc1ccc(CNc2cccc3nc(NC(=O)c4cccnc4)nn23)o1.
What is the InChIKey of N-[5-[(5-methylfuran-2-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
The InChIKey is HENKESZYGNHZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-12-7-8-14(26-12)11-20-15-5-2-6-16-21-18(23-24(15)16)22-17(25)13-4-3-9-19-10-13/h2-10,20H,11H2,1H3,(H,22,23,25).
What are the key properties of N-[5-[(5-methylfuran-2-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
N-[5-[(5-methylfuran-2-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-methylfuran-2-yl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59437542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).