methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate

C19H19N3O3 — CID 134023429

IUPACmethyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)OC)cn1
InChIInChI=1S/C19H19N3O3/c1-3-10-22(13-15-6-4-14(11-20)5-7-15)18(23)17-9-8-16(12-21-17)19(24)25-2/h4-9,12H,3,10,13H2,1-2H3
InChIKeyOKDIEGYFVOQFJL-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.79
Rot. Bonds6

About methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate

methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate (PubChem CID 134023429) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate
PubChem CID134023429
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Namemethyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)OC)cn1
InChIInChI=1S/C19H19N3O3/c1-3-10-22(13-15-6-4-14(11-20)5-7-15)18(23)17-9-8-16(12-21-17)19(24)25-2/h4-9,12H,3,10,13H2,1-2H3
InChIKeyOKDIEGYFVOQFJL-UHFFFAOYSA-N
XLogP2.79
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate (CID 134023429) is methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate is CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)OC)cn1.
What is the InChIKey of methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate?
The InChIKey is OKDIEGYFVOQFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-10-22(13-15-6-4-14(11-20)5-7-15)18(23)17-9-8-16(12-21-17)19(24)25-2/h4-9,12H,3,10,13H2,1-2H3.
What are the key properties of methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate?
methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 134023429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).