2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide

C19H18N4O3 — CID 42521293

IUPAC2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCc1cccnc1Oc1ccc(C)nc1
InChIInChI=1S/C19H18N4O3/c1-13-7-8-15(12-22-13)26-18-14(5-3-9-20-18)11-23-17(24)16-6-4-10-21-19(16)25-2/h3-10,12H,11H2,1-2H3,(H,23,24)
InChIKeyNYWFIWVSMKYEMU-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.91
Rot. Bonds6

About 2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide

2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 42521293) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID42521293
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCc1cccnc1Oc1ccc(C)nc1
InChIInChI=1S/C19H18N4O3/c1-13-7-8-15(12-22-13)26-18-14(5-3-9-20-18)11-23-17(24)16-6-4-10-21-19(16)25-2/h3-10,12H,11H2,1-2H3,(H,23,24)
InChIKeyNYWFIWVSMKYEMU-UHFFFAOYSA-N
XLogP2.91
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide (CID 42521293) is 2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide is COc1ncccc1C(=O)NCc1cccnc1Oc1ccc(C)nc1.
What is the InChIKey of 2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is NYWFIWVSMKYEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-7-8-15(12-22-13)26-18-14(5-3-9-20-18)11-23-17(24)16-6-4-10-21-19(16)25-2/h3-10,12H,11H2,1-2H3,(H,23,24).
What are the key properties of 2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide?
2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 42521293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).