4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

C19H21N3O5 — CID 119180627

IUPAC4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2ccnc(C(=O)O)c2)c1
InChIInChI=1S/C19H21N3O5/c1-2-27-10-4-8-21-17(23)13-5-3-6-15(11-13)22-18(24)14-7-9-20-16(12-14)19(25)26/h3,5-7,9,11-12H,2,4,8,10H2,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyUDXODFTYBKZYIM-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.19
Rot. Bonds9

About 4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119180627) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119180627
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2ccnc(C(=O)O)c2)c1
InChIInChI=1S/C19H21N3O5/c1-2-27-10-4-8-21-17(23)13-5-3-6-15(11-13)22-18(24)14-7-9-20-16(12-14)19(25)26/h3,5-7,9,11-12H,2,4,8,10H2,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyUDXODFTYBKZYIM-UHFFFAOYSA-N
XLogP2.19
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160383
2-N-(3-bromophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082614
4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 51090386
2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide
CID 54236926
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
CID 53030354
2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide
CID 55801849
methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109077959
ethyl 6-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55801513

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 119180627) is 4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is CCOCCCNC(=O)c1cccc(NC(=O)c2ccnc(C(=O)O)c2)c1.
What is the InChIKey of 4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is UDXODFTYBKZYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-2-27-10-4-8-21-17(23)13-5-3-6-15(11-13)22-18(24)14-7-9-20-16(12-14)19(25)26/h3,5-7,9,11-12H,2,4,8,10H2,1H3,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 2.19, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119180627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).