propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate

C17H18N2O3 — CID 51331436

IUPACpropyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C17H18N2O3/c1-3-10-22-17(21)13-6-8-15(9-7-13)19-16(20)14-5-4-12(2)18-11-14/h4-9,11H,3,10H2,1-2H3,(H,19,20)
InChIKeyLCMSBRMWVQQWJL-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.21
Rot. Bonds5

About propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate

propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate (PubChem CID 51331436) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
PubChem CID51331436
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namepropyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C17H18N2O3/c1-3-10-22-17(21)13-6-8-15(9-7-13)19-16(20)14-5-4-12(2)18-11-14/h4-9,11H,3,10H2,1-2H3,(H,19,20)
InChIKeyLCMSBRMWVQQWJL-UHFFFAOYSA-N
XLogP3.21
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 18148097
propyl 4-(pyrimidine-5-carbonylamino)benzoate
CID 104625950
propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate
CID 104821830
N-[4-(2-hydroxyethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 111113144
propyl 4-(pyridine-2-carbonylamino)benzoate
CID 17353106
propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 43409696
N-[4-(ethylaminomethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 106910201
N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 113274656
propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
CID 55771754
propyl 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate
CID 78780070
propyl 4-(1H-imidazole-5-carbonylamino)benzoate
CID 63929483
N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 51985113

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate?
The IUPAC name of propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate (CID 51331436) is propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2ccc(C)nc2)cc1.
What is the InChIKey of propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate?
The InChIKey is LCMSBRMWVQQWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-10-22-17(21)13-6-8-15(9-7-13)19-16(20)14-5-4-12(2)18-11-14/h4-9,11H,3,10H2,1-2H3,(H,19,20).
What are the key properties of propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate?
propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate has a molecular weight of 298.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 51331436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).