methyl pyridine-4-carboxylate;pentanamide

C12H18N2O3 — CID 174992063

IUPACmethyl pyridine-4-carboxylate;pentanamide
SMILESCCCCC(N)=O.COC(=O)c1ccncc1
InChIInChI=1S/C7H7NO2.C5H11NO/c1-10-7(9)6-2-4-8-5-3-6;1-2-3-4-5(6)7/h2-5H,1H3;2-4H2,1H3,(H2,6,7)
InChIKeyARCAJYXKTOIFIU-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.53
Rot. Bonds4

About methyl pyridine-4-carboxylate;pentanamide

methyl pyridine-4-carboxylate;pentanamide (PubChem CID 174992063) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl pyridine-4-carboxylate;pentanamide.

Molecular Properties

Compound Namemethyl pyridine-4-carboxylate;pentanamide
PubChem CID174992063
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl pyridine-4-carboxylate;pentanamide
SMILESCCCCC(N)=O.COC(=O)c1ccncc1
InChIInChI=1S/C7H7NO2.C5H11NO/c1-10-7(9)6-2-4-8-5-3-6;1-2-3-4-5(6)7/h2-5H,1H3;2-4H2,1H3,(H2,6,7)
InChIKeyARCAJYXKTOIFIU-UHFFFAOYSA-N
XLogP1.53
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dichloroplatinum;bis(methyl pyridine-4-carboxylate)
CID 4684281
butanamide;methyl benzoate
CID 174540365
pentyl pyridine-4-carboxylate
CID 531655
undecyl pyridine-4-carboxylate
CID 531738
nonyl pyridine-4-carboxylate
CID 531737
2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate
CID 82532252
methyl benzoate;pentane
CID 142510193
tributylstannyl pyridine-4-carboxylate
CID 16683957
hexane;methyl 4-methylbenzoate
CID 143689226
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methane;1-O-methyl 4-O-pentyl benzene-1,4-dicarboxylate
CID 158882283
methyl 4-nonanoylbenzoate
CID 70923237

Frequently Asked Questions

What is the IUPAC name of methyl pyridine-4-carboxylate;pentanamide?
The IUPAC name of methyl pyridine-4-carboxylate;pentanamide (CID 174992063) is methyl pyridine-4-carboxylate;pentanamide.
What is the SMILES notation for methyl pyridine-4-carboxylate;pentanamide?
The canonical SMILES for methyl pyridine-4-carboxylate;pentanamide is CCCCC(N)=O.COC(=O)c1ccncc1.
What is the InChIKey of methyl pyridine-4-carboxylate;pentanamide?
The InChIKey is ARCAJYXKTOIFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C5H11NO/c1-10-7(9)6-2-4-8-5-3-6;1-2-3-4-5(6)7/h2-5H,1H3;2-4H2,1H3,(H2,6,7).
What are the key properties of methyl pyridine-4-carboxylate;pentanamide?
methyl pyridine-4-carboxylate;pentanamide has a molecular weight of 238.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pyridine-4-carboxylate;pentanamide is sourced from PubChem (CID 174992063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).