N'-[3-propan-2-yloxy-4-(5-pyrimidin-5-ylfuran-2-yl)phenyl]pyridine-2-carboximidamide

C23H21N5O2 — CID 127029680

IUPACN'-[3-propan-2-yloxy-4-(5-pyrimidin-5-ylfuran-2-yl)phenyl]pyridine-2-carboximidamide
SMILESCC(C)Oc1cc(/N=C(\N)c2ccccn2)ccc1-c1ccc(-c2cncnc2)o1
InChIInChI=1S/C23H21N5O2/c1-15(2)29-22-11-17(28-23(24)19-5-3-4-10-27-19)6-7-18(22)21-9-8-20(30-21)16-12-25-14-26-13-16/h3-15H,1-2H3,(H2,24,28)
InChIKeyLAYQELADZRSFJI-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.62
Rot. Bonds6

About N'-[3-propan-2-yloxy-4-(5-pyrimidin-5-ylfuran-2-yl)phenyl]pyridine-2-carboximidamide

N'-[3-propan-2-yloxy-4-(5-pyrimidin-5-ylfuran-2-yl)phenyl]pyridine-2-carboximidamide (PubChem CID 127029680) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N'-[3-propan-2-yloxy-4-(5-pyrimidin-5-ylfuran-2-yl)phenyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-propan-2-yloxy-4-(5-pyrimidin-5-ylfuran-2-yl)phenyl]pyridine-2-carboximidamide
PubChem CID127029680
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN'-[3-propan-2-yloxy-4-(5-pyrimidin-5-ylfuran-2-yl)phenyl]pyridine-2-carboximidamide
SMILESCC(C)Oc1cc(/N=C(\N)c2ccccn2)ccc1-c1ccc(-c2cncnc2)o1
InChIInChI=1S/C23H21N5O2/c1-15(2)29-22-11-17(28-23(24)19-5-3-4-10-27-19)6-7-18(22)21-9-8-20(30-21)16-12-25-14-26-13-16/h3-15H,1-2H3,(H2,24,28)
InChIKeyLAYQELADZRSFJI-UHFFFAOYSA-N
XLogP4.62
TPSA99.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-propan-2-yloxy-4-(5-pyrimidin-5-ylfuran-2-yl)phenyl]pyridine-2-carboximidamide?
The IUPAC name of N'-[3-propan-2-yloxy-4-(5-pyrimidin-5-ylfuran-2-yl)phenyl]pyridine-2-carboximidamide (CID 127029680) is N'-[3-propan-2-yloxy-4-(5-pyrimidin-5-ylfuran-2-yl)phenyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-[3-propan-2-yloxy-4-(5-pyrimidin-5-ylfuran-2-yl)phenyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-[3-propan-2-yloxy-4-(5-pyrimidin-5-ylfuran-2-yl)phenyl]pyridine-2-carboximidamide is CC(C)Oc1cc(/N=C(\N)c2ccccn2)ccc1-c1ccc(-c2cncnc2)o1.
What is the InChIKey of N'-[3-propan-2-yloxy-4-(5-pyrimidin-5-ylfuran-2-yl)phenyl]pyridine-2-carboximidamide?
The InChIKey is LAYQELADZRSFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-15(2)29-22-11-17(28-23(24)19-5-3-4-10-27-19)6-7-18(22)21-9-8-20(30-21)16-12-25-14-26-13-16/h3-15H,1-2H3,(H2,24,28).
What are the key properties of N'-[3-propan-2-yloxy-4-(5-pyrimidin-5-ylfuran-2-yl)phenyl]pyridine-2-carboximidamide?
N'-[3-propan-2-yloxy-4-(5-pyrimidin-5-ylfuran-2-yl)phenyl]pyridine-2-carboximidamide has a molecular weight of 399.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-propan-2-yloxy-4-(5-pyrimidin-5-ylfuran-2-yl)phenyl]pyridine-2-carboximidamide is sourced from PubChem (CID 127029680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).