ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate

C16H16N2O3 — CID 108731954

IUPACethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C16H16N2O3/c1-3-21-16(20)13-7-8-17-14(10-13)18-15(19)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3,(H,17,18,19)
InChIKeyNOQNMQQNZJBOTO-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.82
Rot. Bonds4

About ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate

ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate (PubChem CID 108731954) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
PubChem CID108731954
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Nameethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C16H16N2O3/c1-3-21-16(20)13-7-8-17-14(10-13)18-15(19)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3,(H,17,18,19)
InChIKeyNOQNMQQNZJBOTO-UHFFFAOYSA-N
XLogP2.82
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 171703679
ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
CID 108755424
ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate
CID 108755443
ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate
CID 108731941
ethyl 4-[[6-[(3-methylbenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113036371
ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate
CID 108731992
ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
CID 109169893
ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate
CID 109176152
ethyl 4-[[2-(3-methoxyanilino)pyridine-4-carbonyl]amino]benzoate
CID 109178018
ethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate
CID 176905513
ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]amino]pyridine-4-carboxylate
CID 108755465
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate (CID 108731954) is ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NC(=O)c2cccc(C)c2)c1.
What is the InChIKey of ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate?
The InChIKey is NOQNMQQNZJBOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-21-16(20)13-7-8-17-14(10-13)18-15(19)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate?
ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 108731954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).