N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide

C19H19N3O2 — CID 113032758

IUPACN-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide
SMILESCC(C)c1ccc(Nc2ccc(NC(=O)c3ccco3)nc2)cc1
InChIInChI=1S/C19H19N3O2/c1-13(2)14-5-7-15(8-6-14)21-16-9-10-18(20-12-16)22-19(23)17-4-3-11-24-17/h3-13,21H,1-2H3,(H,20,22,23)
InChIKeyWDSOGNLOZUASLR-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.79
Rot. Bonds5

About N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide

N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide (PubChem CID 113032758) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide
PubChem CID113032758
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide
SMILESCC(C)c1ccc(Nc2ccc(NC(=O)c3ccco3)nc2)cc1
InChIInChI=1S/C19H19N3O2/c1-13(2)14-5-7-15(8-6-14)21-16-9-10-18(20-12-16)22-19(23)17-4-3-11-24-17/h3-13,21H,1-2H3,(H,20,22,23)
InChIKeyWDSOGNLOZUASLR-UHFFFAOYSA-N
XLogP4.79
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(propan-2-ylamino)-2-pyridinyl]furan-2-carboxamide
CID 113023557
N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032100
N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide
CID 113035819
N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113031417
2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide
CID 113032752
N-[5-(2-ethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032400
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113033730
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
N-[5-(butanoylamino)-2-pyridinyl]furan-2-carboxamide
CID 1452808
3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032755
N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113034810
methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate
CID 113035446

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide (CID 113032758) is N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide is CC(C)c1ccc(Nc2ccc(NC(=O)c3ccco3)nc2)cc1.
What is the InChIKey of N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide?
The InChIKey is WDSOGNLOZUASLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(2)14-5-7-15(8-6-14)21-16-9-10-18(20-12-16)22-19(23)17-4-3-11-24-17/h3-13,21H,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide?
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 113032758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).