5-(6-amino-3-pyridinyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide

C20H18N6O — CID 175644637

IUPAC5-(6-amino-3-pyridinyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide
SMILESNc1ccc(-c2cccc3c(C(=O)NCCn4cncn4)cccc23)cn1
InChIInChI=1S/C20H18N6O/c21-19-8-7-14(11-24-19)15-3-1-5-17-16(15)4-2-6-18(17)20(27)23-9-10-26-13-22-12-25-26/h1-8,11-13H,9-10H2,(H2,21,24)(H,23,27)
InChIKeyKEUSCCGFDXDLTH-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.51
Rot. Bonds5

About 5-(6-amino-3-pyridinyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide

5-(6-amino-3-pyridinyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide (PubChem CID 175644637) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 5-(6-amino-3-pyridinyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-(6-amino-3-pyridinyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide
PubChem CID175644637
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name5-(6-amino-3-pyridinyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide
SMILESNc1ccc(-c2cccc3c(C(=O)NCCn4cncn4)cccc23)cn1
InChIInChI=1S/C20H18N6O/c21-19-8-7-14(11-24-19)15-3-1-5-17-16(15)4-2-6-18(17)20(27)23-9-10-26-13-22-12-25-26/h1-8,11-13H,9-10H2,(H2,21,24)(H,23,27)
InChIKeyKEUSCCGFDXDLTH-UHFFFAOYSA-N
XLogP2.51
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-3-pyridinyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide?
The IUPAC name of 5-(6-amino-3-pyridinyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide (CID 175644637) is 5-(6-amino-3-pyridinyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-(6-amino-3-pyridinyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-(6-amino-3-pyridinyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide is Nc1ccc(-c2cccc3c(C(=O)NCCn4cncn4)cccc23)cn1.
What is the InChIKey of 5-(6-amino-3-pyridinyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide?
The InChIKey is KEUSCCGFDXDLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c21-19-8-7-14(11-24-19)15-3-1-5-17-16(15)4-2-6-18(17)20(27)23-9-10-26-13-22-12-25-26/h1-8,11-13H,9-10H2,(H2,21,24)(H,23,27).
What are the key properties of 5-(6-amino-3-pyridinyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide?
5-(6-amino-3-pyridinyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-3-pyridinyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 175644637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).