N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide

C19H17N3O3 — CID 649833

IUPACN-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)ncc1NC(=O)Cc1ccccc1
InChIInChI=1S/C19H17N3O3/c1-13-10-17(22-19(24)16-8-5-9-25-16)20-12-15(13)21-18(23)11-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyMLHZGGKXRSQTJV-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.42
Rot. Bonds5

About N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide

N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide (PubChem CID 649833) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide
PubChem CID649833
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)ncc1NC(=O)Cc1ccccc1
InChIInChI=1S/C19H17N3O3/c1-13-10-17(22-19(24)16-8-5-9-25-16)20-12-15(13)21-18(23)11-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyMLHZGGKXRSQTJV-UHFFFAOYSA-N
XLogP3.42
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Mirfentanil
CID 60698
(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
Mirfentanil Hydrochloride
CID 60697
N-[2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 44634772
N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)acetamide
CID 46880333
N-{6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814197
N-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814271
Dipyridodiazepinone deriv. 39
CID 463559
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
Pyridyl derivative, 15
CID 44520940
ALP-POS-02c6a514-57
CID 156906932
N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)cyclopropanecarboxamide
CID 46866591

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide (CID 649833) is N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)ncc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide?
The InChIKey is MLHZGGKXRSQTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13-10-17(22-19(24)16-8-5-9-25-16)20-12-15(13)21-18(23)11-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,21,23)(H,20,22,24).
What are the key properties of N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide?
N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 649833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).