N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide

C18H21N3O3 — CID 2988749

IUPACN-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
SMILESCCCOc1cccc(C(=O)NCCNC(=O)c2ccncc2)c1
InChIInChI=1S/C18H21N3O3/c1-2-12-24-16-5-3-4-15(13-16)18(23)21-11-10-20-17(22)14-6-8-19-9-7-14/h3-9,13H,2,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyOWHHEMGROGNHJQ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.03
Rot. Bonds8

About N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide

N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide (PubChem CID 2988749) 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-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
PubChem CID2988749
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
SMILESCCCOc1cccc(C(=O)NCCNC(=O)c2ccncc2)c1
InChIInChI=1S/C18H21N3O3/c1-2-12-24-16-5-3-4-15(13-16)18(23)21-11-10-20-17(22)14-6-8-19-9-7-14/h3-9,13H,2,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyOWHHEMGROGNHJQ-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

3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-[2-(ethylamino)ethyl]-3-propoxybenzamide
CID 62919691
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-(3-cyanopropyl)-3-propoxybenzamide
CID 62920708
N-(3-chlorobutyl)-3-propoxybenzamide
CID 114301736
N-pent-3-ynyl-3-propoxybenzamide
CID 115977193
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N-(2-methylprop-2-enyl)-3-propoxybenzamide
CID 114618945
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide
CID 17205121
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propoxybenzamide
CID 103767620

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide (CID 2988749) is N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide is CCCOc1cccc(C(=O)NCCNC(=O)c2ccncc2)c1.
What is the InChIKey of N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-carboxamide?
The InChIKey is OWHHEMGROGNHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-12-24-16-5-3-4-15(13-16)18(23)21-11-10-20-17(22)14-6-8-19-9-7-14/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-4-carboxamide?
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-4-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-4-carboxamide is sourced from PubChem (CID 2988749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).