methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate

C20H25N3O3 — CID 109240973

IUPACmethyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate
SMILESCCCN(CCC)C(=O)c1cncc(Nc2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C20H25N3O3/c1-4-9-23(10-5-2)19(24)16-12-18(14-21-13-16)22-17-8-6-7-15(11-17)20(25)26-3/h6-8,11-14,22H,4-5,9-10H2,1-3H3
InChIKeyAVJNCSHKMFLGDZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.87
Rot. Bonds8

About methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate

methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate (PubChem CID 109240973) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate
PubChem CID109240973
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Namemethyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate
SMILESCCCN(CCC)C(=O)c1cncc(Nc2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C20H25N3O3/c1-4-9-23(10-5-2)19(24)16-12-18(14-21-13-16)22-17-8-6-7-15(11-17)20(25)26-3/h6-8,11-14,22H,4-5,9-10H2,1-3H3
InChIKeyAVJNCSHKMFLGDZ-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240080
5-(4-methylanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109240921
5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109240944
methyl 3-(dipropylcarbamoylamino)benzoate
CID 108990977
methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126263
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
methyl 3-[[5-(3-methoxypropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109228138
5-(3,5-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109241004
5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109241006
methyl 3-[[5-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245797
methyl 3-[[5-[(3-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109232319
N,N-dipropyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109240993

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate (CID 109240973) is methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate is CCCN(CCC)C(=O)c1cncc(Nc2cccc(C(=O)OC)c2)c1.
What is the InChIKey of methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate?
The InChIKey is AVJNCSHKMFLGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-9-23(10-5-2)19(24)16-12-18(14-21-13-16)22-17-8-6-7-15(11-17)20(25)26-3/h6-8,11-14,22H,4-5,9-10H2,1-3H3.
What are the key properties of methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate?
methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate has a molecular weight of 355.44 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109240973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).