N-[2-[methyl-[4-(2H-triazol-4-yl)benzoyl]amino]ethyl]furo[3,2-b]pyridine-5-carboxamide

C20H18N6O3 — CID 166371759

IUPACN-[2-[methyl-[4-(2H-triazol-4-yl)benzoyl]amino]ethyl]furo[3,2-b]pyridine-5-carboxamide
SMILESCN(CCNC(=O)c1ccc2occc2n1)C(=O)c1ccc(-c2cn[nH]n2)cc1
InChIInChI=1S/C20H18N6O3/c1-26(20(28)14-4-2-13(3-5-14)17-12-22-25-24-17)10-9-21-19(27)16-6-7-18-15(23-16)8-11-29-18/h2-8,11-12H,9-10H2,1H3,(H,21,27)(H,22,24,25)
InChIKeyUTCPKBBBMHZYAB-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.11
Rot. Bonds6

About N-[2-[methyl-[4-(2H-triazol-4-yl)benzoyl]amino]ethyl]furo[3,2-b]pyridine-5-carboxamide

N-[2-[methyl-[4-(2H-triazol-4-yl)benzoyl]amino]ethyl]furo[3,2-b]pyridine-5-carboxamide (PubChem CID 166371759) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[2-[methyl-[4-(2H-triazol-4-yl)benzoyl]amino]ethyl]furo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl-[4-(2H-triazol-4-yl)benzoyl]amino]ethyl]furo[3,2-b]pyridine-5-carboxamide
PubChem CID166371759
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC NameN-[2-[methyl-[4-(2H-triazol-4-yl)benzoyl]amino]ethyl]furo[3,2-b]pyridine-5-carboxamide
SMILESCN(CCNC(=O)c1ccc2occc2n1)C(=O)c1ccc(-c2cn[nH]n2)cc1
InChIInChI=1S/C20H18N6O3/c1-26(20(28)14-4-2-13(3-5-14)17-12-22-25-24-17)10-9-21-19(27)16-6-7-18-15(23-16)8-11-29-18/h2-8,11-12H,9-10H2,1H3,(H,21,27)(H,22,24,25)
InChIKeyUTCPKBBBMHZYAB-UHFFFAOYSA-N
XLogP2.11
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[4-(2H-triazol-4-yl)benzoyl]amino]ethyl]furo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-[methyl-[4-(2H-triazol-4-yl)benzoyl]amino]ethyl]furo[3,2-b]pyridine-5-carboxamide (CID 166371759) is N-[2-[methyl-[4-(2H-triazol-4-yl)benzoyl]amino]ethyl]furo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-[methyl-[4-(2H-triazol-4-yl)benzoyl]amino]ethyl]furo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-[methyl-[4-(2H-triazol-4-yl)benzoyl]amino]ethyl]furo[3,2-b]pyridine-5-carboxamide is CN(CCNC(=O)c1ccc2occc2n1)C(=O)c1ccc(-c2cn[nH]n2)cc1.
What is the InChIKey of N-[2-[methyl-[4-(2H-triazol-4-yl)benzoyl]amino]ethyl]furo[3,2-b]pyridine-5-carboxamide?
The InChIKey is UTCPKBBBMHZYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-26(20(28)14-4-2-13(3-5-14)17-12-22-25-24-17)10-9-21-19(27)16-6-7-18-15(23-16)8-11-29-18/h2-8,11-12H,9-10H2,1H3,(H,21,27)(H,22,24,25).
What are the key properties of N-[2-[methyl-[4-(2H-triazol-4-yl)benzoyl]amino]ethyl]furo[3,2-b]pyridine-5-carboxamide?
N-[2-[methyl-[4-(2H-triazol-4-yl)benzoyl]amino]ethyl]furo[3,2-b]pyridine-5-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[4-(2H-triazol-4-yl)benzoyl]amino]ethyl]furo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 166371759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).