N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C19H17N3O2 — CID 87002105

IUPACN-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C19H17N3O2/c1-22(14-15-6-5-11-20-12-15)19(23)16-9-10-18(21-13-16)24-17-7-3-2-4-8-17/h2-13H,14H2,1H3
InChIKeyMXYSLELALOEMMD-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.54
Rot. Bonds5

About N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 87002105) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID87002105
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C19H17N3O2/c1-22(14-15-6-5-11-20-12-15)19(23)16-9-10-18(21-13-16)24-17-7-3-2-4-8-17/h2-13H,14H2,1H3
InChIKeyMXYSLELALOEMMD-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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Related Compounds

N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 78872697
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472
N-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide
CID 111663059
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-6-phenoxypyridine-3-carboxamide
CID 87002374
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 87002102
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 87002105) is N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is CN(Cc1cccnc1)C(=O)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is MXYSLELALOEMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-22(14-15-6-5-11-20-12-15)19(23)16-9-10-18(21-13-16)24-17-7-3-2-4-8-17/h2-13H,14H2,1H3.
What are the key properties of N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-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-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 87002105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).