methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate

C14H13N3O3 — CID 60543494

IUPACmethyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(C)cn2)nc1
InChIInChI=1S/C14H13N3O3/c1-9-3-6-12(16-7-9)17-13(18)11-5-4-10(8-15-11)14(19)20-2/h3-8H,1-2H3,(H,16,17,18)
InChIKeyOHIPJFLPDNJBBT-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.82
Rot. Bonds3

About methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate

methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate (PubChem CID 60543494) 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-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate
PubChem CID60543494
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Namemethyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(C)cn2)nc1
InChIInChI=1S/C14H13N3O3/c1-9-3-6-12(16-7-9)17-13(18)11-5-4-10(8-15-11)14(19)20-2/h3-8H,1-2H3,(H,16,17,18)
InChIKeyOHIPJFLPDNJBBT-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 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate
CID 1483244
Ethyl 4-({[(3-methyl-2-pyridinyl)amino]carbonyl}amino)benzoate
CID 331787
Ethyl 2,6-dimethyl-5-[(4-methylpyridin-2-yl)carbamoylamino]pyridine-3-carboxylate
CID 2341879
Allyl 6-(4-phenylpiperazino)nicotinate
CID 3609289
Methyl 2-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]pyridine-3-carboxylate
CID 15988226
Ethyl 4-(pyridin-2-ylcarbamoylamino)benzoate
CID 6468586
Ethyl 6-[4-(anilinocarbonyl)piperazin-1-yl]-5-cyanonicotinate
CID 24751574
Ethyl 2-(benzoylamino)nicotinate
CID 302495
Methyl 2-[3-(trifluoromethyl)anilino]nicotinate
CID 527328
Ethyl 4-({[4-(2-pyridinyl)-1-piperazinyl]carbonyl}amino)benzoate
CID 1296067
methyl 4-({[1-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]carbonyl}amino)benzenecarboxylate
CID 1472422
Methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 4640398

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate (CID 60543494) is methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccc(C)cn2)nc1.
What is the InChIKey of methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate?
The InChIKey is OHIPJFLPDNJBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-3-6-12(16-7-9)17-13(18)11-5-4-10(8-15-11)14(19)20-2/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate?
methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-3-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-3-carboxylate is sourced from PubChem (CID 60543494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).