N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide

C19H17N3O2 — CID 53185056

IUPACN-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCN(Cc1cccnc1Oc1ccccc1)C(=O)c1ccncc1
InChIInChI=1S/C19H17N3O2/c1-22(19(23)15-9-12-20-13-10-15)14-16-6-5-11-21-18(16)24-17-7-3-2-4-8-17/h2-13H,14H2,1H3
InChIKeyZDULKKMFJUXUPK-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.54
Rot. Bonds5

About N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide

N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 53185056) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID53185056
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCN(Cc1cccnc1Oc1ccccc1)C(=O)c1ccncc1
InChIInChI=1S/C19H17N3O2/c1-22(19(23)15-9-12-20-13-10-15)14-16-6-5-11-21-18(16)24-17-7-3-2-4-8-17/h2-13H,14H2,1H3
InChIKeyZDULKKMFJUXUPK-UHFFFAOYSA-N
XLogP3.54
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide (CID 53185056) is N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide is CN(Cc1cccnc1Oc1ccccc1)C(=O)c1ccncc1.
What is the InChIKey of N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is ZDULKKMFJUXUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-22(19(23)15-9-12-20-13-10-15)14-16-6-5-11-21-18(16)24-17-7-3-2-4-8-17/h2-13H,14H2,1H3.
What are the key properties of N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide?
N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 53185056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).