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

C19H17N3O2 — CID 42458039

IUPAC6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2cccnc2Oc2ccccc2)cn1
InChIInChI=1S/C19H17N3O2/c1-14-9-10-15(12-21-14)18(23)22-13-16-6-5-11-20-19(16)24-17-7-3-2-4-8-17/h2-12H,13H2,1H3,(H,22,23)
InChIKeyNGOUCOBJDLJZJQ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.51
Rot. Bonds5

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

6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 42458039) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID42458039
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2cccnc2Oc2ccccc2)cn1
InChIInChI=1S/C19H17N3O2/c1-14-9-10-15(12-21-14)18(23)22-13-16-6-5-11-20-19(16)24-17-7-3-2-4-8-17/h2-12H,13H2,1H3,(H,22,23)
InChIKeyNGOUCOBJDLJZJQ-UHFFFAOYSA-N
XLogP3.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 42458039) is 6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCc2cccnc2Oc2ccccc2)cn1.
What is the InChIKey of 6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is NGOUCOBJDLJZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-14-9-10-15(12-21-14)18(23)22-13-16-6-5-11-20-19(16)24-17-7-3-2-4-8-17/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of 6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 42458039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).