4-[[5-(2-methyl-4-pyridinyl)furan-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxamide

C20H21N5O4 — CID 171357285

IUPAC4-[[5-(2-methyl-4-pyridinyl)furan-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxamide
SMILESCc1cc(-c2ccc(C(=O)Nc3cn(C4CCOCC4)nc3C(N)=O)o2)ccn1
InChIInChI=1S/C20H21N5O4/c1-12-10-13(4-7-22-12)16-2-3-17(29-16)20(27)23-15-11-25(24-18(15)19(21)26)14-5-8-28-9-6-14/h2-4,7,10-11,14H,5-6,8-9H2,1H3,(H2,21,26)(H,23,27)
InChIKeyWCEWYCYYQQTVEE-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.55
Rot. Bonds5

About 4-[[5-(2-methyl-4-pyridinyl)furan-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxamide

4-[[5-(2-methyl-4-pyridinyl)furan-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxamide (PubChem CID 171357285) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 4-[[5-(2-methyl-4-pyridinyl)furan-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[5-(2-methyl-4-pyridinyl)furan-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxamide
PubChem CID171357285
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name4-[[5-(2-methyl-4-pyridinyl)furan-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxamide
SMILESCc1cc(-c2ccc(C(=O)Nc3cn(C4CCOCC4)nc3C(N)=O)o2)ccn1
InChIInChI=1S/C20H21N5O4/c1-12-10-13(4-7-22-12)16-2-3-17(29-16)20(27)23-15-11-25(24-18(15)19(21)26)14-5-8-28-9-6-14/h2-4,7,10-11,14H,5-6,8-9H2,1H3,(H2,21,26)(H,23,27)
InChIKeyWCEWYCYYQQTVEE-UHFFFAOYSA-N
XLogP2.55
TPSA125.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-methyl-4-pyridinyl)furan-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-[[5-(2-methyl-4-pyridinyl)furan-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxamide (CID 171357285) is 4-[[5-(2-methyl-4-pyridinyl)furan-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-[[5-(2-methyl-4-pyridinyl)furan-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-[[5-(2-methyl-4-pyridinyl)furan-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxamide is Cc1cc(-c2ccc(C(=O)Nc3cn(C4CCOCC4)nc3C(N)=O)o2)ccn1.
What is the InChIKey of 4-[[5-(2-methyl-4-pyridinyl)furan-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxamide?
The InChIKey is WCEWYCYYQQTVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-12-10-13(4-7-22-12)16-2-3-17(29-16)20(27)23-15-11-25(24-18(15)19(21)26)14-5-8-28-9-6-14/h2-4,7,10-11,14H,5-6,8-9H2,1H3,(H2,21,26)(H,23,27).
What are the key properties of 4-[[5-(2-methyl-4-pyridinyl)furan-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxamide?
4-[[5-(2-methyl-4-pyridinyl)furan-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-methyl-4-pyridinyl)furan-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 171357285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).