N-[4-methyl-5-(3-phenylpropanoylamino)-2-pyridinyl]furan-2-carboxamide

C20H19N3O3 — CID 645020

IUPACN-[4-methyl-5-(3-phenylpropanoylamino)-2-pyridinyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)ncc1NC(=O)CCc1ccccc1
InChIInChI=1S/C20H19N3O3/c1-14-12-18(23-20(25)17-8-5-11-26-17)21-13-16(14)22-19(24)10-9-15-6-3-2-4-7-15/h2-8,11-13H,9-10H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyJIFDIHZFRYBSJF-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.81
Rot. Bonds6

About N-[4-methyl-5-(3-phenylpropanoylamino)-2-pyridinyl]furan-2-carboxamide

N-[4-methyl-5-(3-phenylpropanoylamino)-2-pyridinyl]furan-2-carboxamide (PubChem CID 645020) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[4-methyl-5-(3-phenylpropanoylamino)-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-(3-phenylpropanoylamino)-2-pyridinyl]furan-2-carboxamide
PubChem CID645020
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[4-methyl-5-(3-phenylpropanoylamino)-2-pyridinyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)ncc1NC(=O)CCc1ccccc1
InChIInChI=1S/C20H19N3O3/c1-14-12-18(23-20(25)17-8-5-11-26-17)21-13-16(14)22-19(24)10-9-15-6-3-2-4-7-15/h2-8,11-13H,9-10H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyJIFDIHZFRYBSJF-UHFFFAOYSA-N
XLogP3.81
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(3-phenylpropanoylamino)-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[4-methyl-5-(3-phenylpropanoylamino)-2-pyridinyl]furan-2-carboxamide (CID 645020) is N-[4-methyl-5-(3-phenylpropanoylamino)-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-5-(3-phenylpropanoylamino)-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-5-(3-phenylpropanoylamino)-2-pyridinyl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)ncc1NC(=O)CCc1ccccc1.
What is the InChIKey of N-[4-methyl-5-(3-phenylpropanoylamino)-2-pyridinyl]furan-2-carboxamide?
The InChIKey is JIFDIHZFRYBSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-12-18(23-20(25)17-8-5-11-26-17)21-13-16(14)22-19(24)10-9-15-6-3-2-4-7-15/h2-8,11-13H,9-10H2,1H3,(H,22,24)(H,21,23,25).
What are the key properties of N-[4-methyl-5-(3-phenylpropanoylamino)-2-pyridinyl]furan-2-carboxamide?
N-[4-methyl-5-(3-phenylpropanoylamino)-2-pyridinyl]furan-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(3-phenylpropanoylamino)-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 645020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).