methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate

C14H13N3O3 — CID 47325772

IUPACmethyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(C)cn2)n1
InChIInChI=1S/C14H13N3O3/c1-9-6-7-12(15-8-9)17-13(18)10-4-3-5-11(16-10)14(19)20-2/h3-8H,1-2H3,(H,15,17,18)
InChIKeyFLVPDBATTPLCJL-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.82
Rot. Bonds3

About methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate

methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 47325772) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate
PubChem CID47325772
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Namemethyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(C)cn2)n1
InChIInChI=1S/C14H13N3O3/c1-9-6-7-12(15-8-9)17-13(18)10-4-3-5-11(16-10)14(19)20-2/h3-8H,1-2H3,(H,15,17,18)
InChIKeyFLVPDBATTPLCJL-UHFFFAOYSA-N
XLogP1.82
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799744
2-N,6-N-bis(5-chloro-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 3421113
methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3240614
6-chloro-N-(5-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 103186850
N-(5-methyl-2-pyridinyl)naphthalene-1-carboxamide
CID 673887
2-N,6-N-bis(4-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4130002
3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 39718566
6-hydrazinyl-N-(5-methyl-2-pyridinyl)pyridazine-3-carboxamide
CID 62235642
1-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 100816353
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
3,5-dichloro-N-(5-methyl-2-pyridinyl)benzamide
CID 5063171

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate (CID 47325772) is methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)Nc2ccc(C)cn2)n1.
What is the InChIKey of methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is FLVPDBATTPLCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-6-7-12(15-8-9)17-13(18)10-4-3-5-11(16-10)14(19)20-2/h3-8H,1-2H3,(H,15,17,18).
What are the key properties of methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate?
methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 271.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 47325772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).