N-[6-[(3-fluorobenzoyl)amino]-4-methyl-3-pyridinyl]furan-2-carboxamide

C18H14FN3O3 — CID 649319

IUPACN-[6-[(3-fluorobenzoyl)amino]-4-methyl-3-pyridinyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)ncc1NC(=O)c1ccco1
InChIInChI=1S/C18H14FN3O3/c1-11-8-16(22-17(23)12-4-2-5-13(19)9-12)20-10-14(11)21-18(24)15-6-3-7-25-15/h2-10H,1H3,(H,21,24)(H,20,22,23)
InChIKeyQZSMVYNLYAZMOV-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.63
Rot. Bonds4

About N-[6-[(3-fluorobenzoyl)amino]-4-methyl-3-pyridinyl]furan-2-carboxamide

N-[6-[(3-fluorobenzoyl)amino]-4-methyl-3-pyridinyl]furan-2-carboxamide (PubChem CID 649319) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is N-[6-[(3-fluorobenzoyl)amino]-4-methyl-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(3-fluorobenzoyl)amino]-4-methyl-3-pyridinyl]furan-2-carboxamide
PubChem CID649319
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC NameN-[6-[(3-fluorobenzoyl)amino]-4-methyl-3-pyridinyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)ncc1NC(=O)c1ccco1
InChIInChI=1S/C18H14FN3O3/c1-11-8-16(22-17(23)12-4-2-5-13(19)9-12)20-10-14(11)21-18(24)15-6-3-7-25-15/h2-10H,1H3,(H,21,24)(H,20,22,23)
InChIKeyQZSMVYNLYAZMOV-UHFFFAOYSA-N
XLogP3.63
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(3-fluorobenzoyl)amino]-4-methyl-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[6-[(3-fluorobenzoyl)amino]-4-methyl-3-pyridinyl]furan-2-carboxamide (CID 649319) is N-[6-[(3-fluorobenzoyl)amino]-4-methyl-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[(3-fluorobenzoyl)amino]-4-methyl-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[6-[(3-fluorobenzoyl)amino]-4-methyl-3-pyridinyl]furan-2-carboxamide is Cc1cc(NC(=O)c2cccc(F)c2)ncc1NC(=O)c1ccco1.
What is the InChIKey of N-[6-[(3-fluorobenzoyl)amino]-4-methyl-3-pyridinyl]furan-2-carboxamide?
The InChIKey is QZSMVYNLYAZMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-11-8-16(22-17(23)12-4-2-5-13(19)9-12)20-10-14(11)21-18(24)15-6-3-7-25-15/h2-10H,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-[6-[(3-fluorobenzoyl)amino]-4-methyl-3-pyridinyl]furan-2-carboxamide?
N-[6-[(3-fluorobenzoyl)amino]-4-methyl-3-pyridinyl]furan-2-carboxamide has a molecular weight of 339.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3-fluorobenzoyl)amino]-4-methyl-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 649319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).