N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide

C19H23N3O5 — CID 108926572

IUPACN-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NCCCNC(=O)c2cccnc2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O5/c1-25-15-10-14(11-16(26-2)17(15)27-3)19(24)22-9-5-8-21-18(23)13-6-4-7-20-12-13/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLUSNOKXMQKZZOD-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.66
Rot. Bonds9

About N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide

N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide (PubChem CID 108926572) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
PubChem CID108926572
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NCCCNC(=O)c2cccnc2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O5/c1-25-15-10-14(11-16(26-2)17(15)27-3)19(24)22-9-5-8-21-18(23)13-6-4-7-20-12-13/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLUSNOKXMQKZZOD-UHFFFAOYSA-N
XLogP1.66
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 4543569
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide
CID 46651699
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 110789703
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39023791
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
N-octadecylpyridine-3-carboxamide
CID 3547337

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide (CID 108926572) is N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide is COc1cc(C(=O)NCCCNC(=O)c2cccnc2)cc(OC)c1OC.
What is the InChIKey of N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide?
The InChIKey is LUSNOKXMQKZZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-25-15-10-14(11-16(26-2)17(15)27-3)19(24)22-9-5-8-21-18(23)13-6-4-7-20-12-13/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide?
N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).