ethane;methyl 6-benzamidopyridine-3-carboxylate

C18H24N2O3 — CID 91195390

IUPACethane;methyl 6-benzamidopyridine-3-carboxylate
SMILESCC.CC.COC(=O)c1ccc(NC(=O)c2ccccc2)nc1
InChIInChI=1S/C14H12N2O3.2C2H6/c1-19-14(18)11-7-8-12(15-9-11)16-13(17)10-5-3-2-4-6-10;2*1-2/h2-9H,1H3,(H,15,16,17);2*1-2H3
InChIKeyOGGWSFPDLVPAEG-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.17
Rot. Bonds3

About ethane;methyl 6-benzamidopyridine-3-carboxylate

ethane;methyl 6-benzamidopyridine-3-carboxylate (PubChem CID 91195390) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is ethane;methyl 6-benzamidopyridine-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl 6-benzamidopyridine-3-carboxylate
PubChem CID91195390
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nameethane;methyl 6-benzamidopyridine-3-carboxylate
SMILESCC.CC.COC(=O)c1ccc(NC(=O)c2ccccc2)nc1
InChIInChI=1S/C14H12N2O3.2C2H6/c1-19-14(18)11-7-8-12(15-9-11)16-13(17)10-5-3-2-4-6-10;2*1-2/h2-9H,1H3,(H,15,16,17);2*1-2H3
InChIKeyOGGWSFPDLVPAEG-UHFFFAOYSA-N
XLogP4.17
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(6-benzamido-3-pyridinyl)amino]benzoate
CID 113035384
methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate
CID 54003775
methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate
CID 156583770
methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799744
methyl 6-[[2-[(1R)-1-phenylethoxy]-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylate
CID 67765270
N-[5-(N'-hydroxycarbamimidoyl)-2-pyridinyl]benzamide
CID 74018813
N-(5-propan-2-yl-2-pyridinyl)benzamide
CID 170385560
N-(5-amino-2-pyridinyl)benzamide;methane
CID 158297207
methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate
CID 143828089
N-(5-formyl-2-pyridinyl)benzamide
CID 159048742
methyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate
CID 118100744
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 6-benzamidopyridine-3-carboxylate?
The IUPAC name of ethane;methyl 6-benzamidopyridine-3-carboxylate (CID 91195390) is ethane;methyl 6-benzamidopyridine-3-carboxylate.
What is the SMILES notation for ethane;methyl 6-benzamidopyridine-3-carboxylate?
The canonical SMILES for ethane;methyl 6-benzamidopyridine-3-carboxylate is CC.CC.COC(=O)c1ccc(NC(=O)c2ccccc2)nc1.
What is the InChIKey of ethane;methyl 6-benzamidopyridine-3-carboxylate?
The InChIKey is OGGWSFPDLVPAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3.2C2H6/c1-19-14(18)11-7-8-12(15-9-11)16-13(17)10-5-3-2-4-6-10;2*1-2/h2-9H,1H3,(H,15,16,17);2*1-2H3.
What are the key properties of ethane;methyl 6-benzamidopyridine-3-carboxylate?
ethane;methyl 6-benzamidopyridine-3-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 6-benzamidopyridine-3-carboxylate is sourced from PubChem (CID 91195390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).