methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate

C18H21N3O3 — CID 48650816

IUPACmethyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCCN(CC)c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cn1
InChIInChI=1S/C18H21N3O3/c1-4-21(5-2)16-11-8-14(12-19-16)17(22)20-15-9-6-13(7-10-15)18(23)24-3/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyNHSCKHGOALVSDQ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.97
Rot. Bonds6

About methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate

methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate (PubChem CID 48650816) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate
PubChem CID48650816
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namemethyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCCN(CC)c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cn1
InChIInChI=1S/C18H21N3O3/c1-4-21(5-2)16-11-8-14(12-19-16)17(22)20-15-9-6-13(7-10-15)18(23)24-3/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyNHSCKHGOALVSDQ-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

6-(dipropylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109161818
methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 18148097
N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 60971845
ethyl 4-[[2-(diethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109262560
N-(3-amino-4-methoxyphenyl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 119419659
methyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048429
N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide
CID 63973943
6-(diethylamino)-N-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 71934785
methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164188
6-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109156325
6-(diethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 110907815
6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447882

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate (CID 48650816) is methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate is CCN(CC)c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cn1.
What is the InChIKey of methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is NHSCKHGOALVSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-4-21(5-2)16-11-8-14(12-19-16)17(22)20-15-9-6-13(7-10-15)18(23)24-3/h6-12H,4-5H2,1-3H3,(H,20,22).
What are the key properties of methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate?
methyl 4-[[6-(diethylamino)pyridine-3-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 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 48650816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).