methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate

C20H25N3O3 — CID 109196665

IUPACmethyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate
SMILESCCCN(CCC)c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)nc1
InChIInChI=1S/C20H25N3O3/c1-4-12-23(13-5-2)17-10-11-18(21-14-17)19(24)22-16-8-6-15(7-9-16)20(25)26-3/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24)
InChIKeyYEMWKHUUKCAJDW-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.75
Rot. Bonds8

About methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate

methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109196665) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate
PubChem CID109196665
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Namemethyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate
SMILESCCCN(CCC)c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)nc1
InChIInChI=1S/C20H25N3O3/c1-4-12-23(13-5-2)17-10-11-18(21-14-17)19(24)22-16-8-6-15(7-9-16)20(25)26-3/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24)
InChIKeyYEMWKHUUKCAJDW-UHFFFAOYSA-N
XLogP3.75
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109197694
methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195883
N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide
CID 109196641
methyl 4-[[5-(propylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271104
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978
methyl 4-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199301
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025
1-[5-(dipropylamino)-2-pyridinyl]propan-1-one
CID 112583475
methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109049092
5-(diethylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194751
methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate
CID 48650816

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate (CID 109196665) is methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate is CCCN(CCC)c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)nc1.
What is the InChIKey of methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is YEMWKHUUKCAJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-12-23(13-5-2)17-10-11-18(21-14-17)19(24)22-16-8-6-15(7-9-16)20(25)26-3/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24).
What are the key properties of methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate?
methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 355.44 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109196665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).