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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Related Compounds

methyl 6-[(4-cyanophenyl)methyl-[2-(dimethylamino)ethyl]carbamoyl]pyridine-3-carboxylate
CID 60573978
5-cyano-N-ethyl-N-propylpyridine-2-carboxamide
CID 63717846
5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
CID 63724052
methyl 2-[(4-cyanobenzoyl)-propylamino]acetate
CID 60766494
methyl 6-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]pyridine-3-carboxylate
CID 35745836
4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide
CID 55593914
N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide
CID 55609453
N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667
N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
CID 103028790
methyl 3-[(5-cyanopyridine-2-carbonyl)-ethylamino]propanoate
CID 63717102
N-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide
CID 134023402
N-butyl-5-cyano-N-ethylpyridine-2-carboxamide
CID 63719310

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).