methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate

C14H13N3O3 — CID 47408889

IUPACmethyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NCc2ccncc2)n1
InChIInChI=1S/C14H13N3O3/c1-20-14(19)12-4-2-3-11(17-12)13(18)16-9-10-5-7-15-8-6-10/h2-8H,9H2,1H3,(H,16,18)
InChIKeyKUGPCKOKTFIDPY-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.19
Rot. Bonds4

About methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate

methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate (PubChem CID 47408889) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate
PubChem CID47408889
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Namemethyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NCc2ccncc2)n1
InChIInChI=1S/C14H13N3O3/c1-20-14(19)12-4-2-3-11(17-12)13(18)16-9-10-5-7-15-8-6-10/h2-8H,9H2,1H3,(H,16,18)
InChIKeyKUGPCKOKTFIDPY-UHFFFAOYSA-N
XLogP1.19
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
6-N-(4-methoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098383
6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098333
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
6-N-benzyl-6-N-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097660
N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094786
6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098074
methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109097311
6-N-(3,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098412
6-N-(3-chloro-4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098377
6-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098404

Frequently Asked Questions

What is the IUPAC name of methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate (CID 47408889) is methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)NCc2ccncc2)n1.
What is the InChIKey of methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate?
The InChIKey is KUGPCKOKTFIDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-20-14(19)12-4-2-3-11(17-12)13(18)16-9-10-5-7-15-8-6-10/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate?
methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate has a molecular weight of 271.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate is sourced from PubChem (CID 47408889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).