N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide

C18H21N3O3 — CID 2985341

IUPACN-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
SMILESCCCOc1cccc(C(=O)NCCNC(=O)c2ccccn2)c1
InChIInChI=1S/C18H21N3O3/c1-2-12-24-15-7-5-6-14(13-15)17(22)20-10-11-21-18(23)16-8-3-4-9-19-16/h3-9,13H,2,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyXHGPWJSAKHROGU-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.03
Rot. Bonds8

About N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide

N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide (PubChem CID 2985341) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
PubChem CID2985341
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
SMILESCCCOc1cccc(C(=O)NCCNC(=O)c2ccccn2)c1
InChIInChI=1S/C18H21N3O3/c1-2-12-24-15-7-5-6-14(13-15)17(22)20-10-11-21-18(23)16-8-3-4-9-19-16/h3-9,13H,2,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyXHGPWJSAKHROGU-UHFFFAOYSA-N
XLogP2.03
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide
CID 11210019
N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide
CID 11221120
CP-457920
CID 9831581
N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CID 122707126
5-(4-((Phenethylamino)methyl)phenoxy)picolinamide
CID 44434951
5-Cyano-N-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide
CID 9543521
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
CID 118911741
N-{2-Furan-2-yl-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 2874943
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
Nalpha-[trans-4-(Aminomethyl)cyclohexane-1-Carbonyl]-N-Octyl-O-[(Pyridin-4-Yl)methyl]-L-Tyrosinamide
CID 10697355
4-fluoro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396290

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide (CID 2985341) is N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide is CCCOc1cccc(C(=O)NCCNC(=O)c2ccccn2)c1.
What is the InChIKey of N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide?
The InChIKey is XHGPWJSAKHROGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-12-24-15-7-5-6-14(13-15)17(22)20-10-11-21-18(23)16-8-3-4-9-19-16/h3-9,13H,2,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide?
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 2985341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).