5-tert-butyl-4-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide

C19H26N4O2 — CID 50969622

IUPAC5-tert-butyl-4-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide
SMILESCn1cc(C2=CCN(Cc3cc(C(N)=O)oc3C(C)(C)C)CC2)cn1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)17-14(9-16(25-17)18(20)24)12-23-7-5-13(6-8-23)15-10-21-22(4)11-15/h5,9-11H,6-8,12H2,1-4H3,(H2,20,24)
InChIKeyXACFXXRIVMSNAP-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.70
Rot. Bonds4

About 5-tert-butyl-4-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide

5-tert-butyl-4-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide (PubChem CID 50969622) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-tert-butyl-4-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-4-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide
PubChem CID50969622
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name5-tert-butyl-4-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide
SMILESCn1cc(C2=CCN(Cc3cc(C(N)=O)oc3C(C)(C)C)CC2)cn1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)17-14(9-16(25-17)18(20)24)12-23-7-5-13(6-8-23)15-10-21-22(4)11-15/h5,9-11H,6-8,12H2,1-4H3,(H2,20,24)
InChIKeyXACFXXRIVMSNAP-UHFFFAOYSA-N
XLogP2.70
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-tert-butyl-4-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide (CID 50969622) is 5-tert-butyl-4-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-4-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-tert-butyl-4-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide is Cn1cc(C2=CCN(Cc3cc(C(N)=O)oc3C(C)(C)C)CC2)cn1.
What is the InChIKey of 5-tert-butyl-4-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide?
The InChIKey is XACFXXRIVMSNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,3)17-14(9-16(25-17)18(20)24)12-23-7-5-13(6-8-23)15-10-21-22(4)11-15/h5,9-11H,6-8,12H2,1-4H3,(H2,20,24).
What are the key properties of 5-tert-butyl-4-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide?
5-tert-butyl-4-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-[[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 50969622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).