ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide

C23H27N5O — CID 142483445

About ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide

ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide (PubChem CID 142483445) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide
• PubChem CID: 142483445
• Molecular Formula: C23H27N5O
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.22
• IUPAC Name: ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide
• SMILES: CC.CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccccc3c2)n1.[H][H]
• InChI: InChI=1S/C21H19N5O.C2H6.H2/c1-14(2)26-13-22-25-20(26)18-8-5-9-19(23-18)24-21(27)17-11-10-15-6-3-4-7-16(15)12-17;1-2;/h3-14H,1-2H3,(H,23,24,27);1-2H3;1H
• InChIKey: DJKSJSHHFMNJIM-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide?

The IUPAC name of ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide (CID 142483445) is ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide.

What is the SMILES notation for ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide?

The canonical SMILES for ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide is CC.CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3ccccc3c2)n1.[H][H].

What is the InChIKey of ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide?

The InChIKey is DJKSJSHHFMNJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O.C2H6.H2/c1-14(2)26-13-22-25-20(26)18-8-5-9-19(23-18)24-21(27)17-11-10-15-6-3-4-7-16(15)12-17;1-2;/h3-14H,1-2H3,(H,23,24,27);1-2H3;1H.

What are the key properties of ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide?

ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide is sourced from PubChem (CID 142483445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).