N-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide

C25H30N4O3 — CID 42382022

IUPACN-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(CNCC[C@@H](C)c2ccc(C)o2)cc(NC(=O)c2ccccn2)c1
InChIInChI=1S/C25H30N4O3/c1-4-27-24(30)20-13-19(16-26-12-10-17(2)23-9-8-18(3)32-23)14-21(15-20)29-25(31)22-7-5-6-11-28-22/h5-9,11,13-15,17,26H,4,10,12,16H2,1-3H3,(H,27,30)(H,29,31)/t17-/m1/s1
InChIKeyFIAOBGYMTYPDRO-QGZVFWFLSA-N
MW434.54 g/mol
LogP4.27
Rot. Bonds10

About N-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide

N-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide (PubChem CID 42382022) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide
PubChem CID42382022
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(CNCC[C@@H](C)c2ccc(C)o2)cc(NC(=O)c2ccccn2)c1
InChIInChI=1S/C25H30N4O3/c1-4-27-24(30)20-13-19(16-26-12-10-17(2)23-9-8-18(3)32-23)14-21(15-20)29-25(31)22-7-5-6-11-28-22/h5-9,11,13-15,17,26H,4,10,12,16H2,1-3H3,(H,27,30)(H,29,31)/t17-/m1/s1
InChIKeyFIAOBGYMTYPDRO-QGZVFWFLSA-N
XLogP4.27
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.27
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide (CID 42382022) is N-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide is CCNC(=O)c1cc(CNCC[C@@H](C)c2ccc(C)o2)cc(NC(=O)c2ccccn2)c1.
What is the InChIKey of N-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide?
The InChIKey is FIAOBGYMTYPDRO-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-4-27-24(30)20-13-19(16-26-12-10-17(2)23-9-8-18(3)32-23)14-21(15-20)29-25(31)22-7-5-6-11-28-22/h5-9,11,13-15,17,26H,4,10,12,16H2,1-3H3,(H,27,30)(H,29,31)/t17-/m1/s1.
What are the key properties of N-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide?
N-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.27, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylcarbamoyl)-5-[[[(3R)-3-(5-methylfuran-2-yl)butyl]amino]methyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 42382022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).