N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]pyridine-2-carboxamide

C20H25N3O3 — CID 3238001

IUPACN-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]pyridine-2-carboxamide
SMILESCCOCCCNC(=O)C(NC(=O)c1ccccn1)c1ccc(C)cc1
InChIInChI=1S/C20H25N3O3/c1-3-26-14-6-13-22-20(25)18(16-10-8-15(2)9-11-16)23-19(24)17-7-4-5-12-21-17/h4-5,7-12,18H,3,6,13-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyYRRXPKVAKPCSPX-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.40
Rot. Bonds9

About N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]pyridine-2-carboxamide

N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 3238001) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]pyridine-2-carboxamide
PubChem CID3238001
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]pyridine-2-carboxamide
SMILESCCOCCCNC(=O)C(NC(=O)c1ccccn1)c1ccc(C)cc1
InChIInChI=1S/C20H25N3O3/c1-3-26-14-6-13-22-20(25)18(16-10-8-15(2)9-11-16)23-19(24)17-7-4-5-12-21-17/h4-5,7-12,18H,3,6,13-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyYRRXPKVAKPCSPX-UHFFFAOYSA-N
XLogP2.40
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]pyridine-2-carboxamide (CID 3238001) is N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]pyridine-2-carboxamide is CCOCCCNC(=O)C(NC(=O)c1ccccn1)c1ccc(C)cc1.
What is the InChIKey of N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is YRRXPKVAKPCSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-26-14-6-13-22-20(25)18(16-10-8-15(2)9-11-16)23-19(24)17-7-4-5-12-21-17/h4-5,7-12,18H,3,6,13-14H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]pyridine-2-carboxamide?
N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 3238001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).