2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide

C17H18N6O2 — CID 153384511

IUPAC2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1
InChIInChI=1S/C17H18N6O2/c1-11(2)23-10-19-22-15(23)13-7-4-8-14(20-13)21-16(24)12-6-5-9-18-17(12)25-3/h4-11H,1-3H3,(H,20,21,24)
InChIKeyRXZKXDQFSZENOG-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.58
Rot. Bonds5

About 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide

2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 153384511) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID153384511
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1
InChIInChI=1S/C17H18N6O2/c1-11(2)23-10-19-22-15(23)13-7-4-8-14(20-13)21-16(24)12-6-5-9-18-17(12)25-3/h4-11H,1-3H3,(H,20,21,24)
InChIKeyRXZKXDQFSZENOG-UHFFFAOYSA-N
XLogP2.58
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide (CID 153384511) is 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide is COc1ncccc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.
What is the InChIKey of 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is RXZKXDQFSZENOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-11(2)23-10-19-22-15(23)13-7-4-8-14(20-13)21-16(24)12-6-5-9-18-17(12)25-3/h4-11H,1-3H3,(H,20,21,24).
What are the key properties of 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide?
2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 153384511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).