methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate

C18H21N3O3 — CID 109216568

IUPACmethyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate
SMILESCCN(CC)c1ccnc(C(=O)Nc2ccccc2C(=O)OC)c1
InChIInChI=1S/C18H21N3O3/c1-4-21(5-2)13-10-11-19-16(12-13)17(22)20-15-9-7-6-8-14(15)18(23)24-3/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyYHIXSTMRENSNEW-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.97
Rot. Bonds6

About methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate

methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109216568) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate
PubChem CID109216568
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namemethyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate
SMILESCCN(CC)c1ccnc(C(=O)Nc2ccccc2C(=O)OC)c1
InChIInChI=1S/C18H21N3O3/c1-4-21(5-2)13-10-11-19-16(12-13)17(22)20-15-9-7-6-8-14(15)18(23)24-3/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyYHIXSTMRENSNEW-UHFFFAOYSA-N
XLogP2.97
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[4-[2-(dimethylamino)ethylamino]pyridine-2-carbonyl]amino]benzoate
CID 109207394
4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109216613
methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate
CID 109190861
methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109091033
methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109220818
4-[benzyl(ethyl)amino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109212623
methyl 2-[[4-(pentylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109089807
4-(diethylamino)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109216518
N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219474
4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109220319
methyl 2-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089904
methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109093237

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate (CID 109216568) is methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate is CCN(CC)c1ccnc(C(=O)Nc2ccccc2C(=O)OC)c1.
What is the InChIKey of methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is YHIXSTMRENSNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-4-21(5-2)13-10-11-19-16(12-13)17(22)20-15-9-7-6-8-14(15)18(23)24-3/h6-12H,4-5H2,1-3H3,(H,20,22).
What are the key properties of methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate?
methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 327.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109216568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).