N-(4-chlorophenyl)-N'-propan-2-ylpyridine-3-carboximidamide

C15H16ClN3 — CID 3792618

IUPACN-(4-chlorophenyl)-N'-propan-2-ylpyridine-3-carboximidamide
SMILESCC(C)/N=C(/Nc1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C15H16ClN3/c1-11(2)18-15(12-4-3-9-17-10-12)19-14-7-5-13(16)6-8-14/h3-11H,1-2H3,(H,18,19)
InChIKeyNPBJOTYNAIDZFU-UHFFFAOYSA-N
MW273.77 g/mol
LogP4.00
Rot. Bonds3

About N-(4-chlorophenyl)-N'-propan-2-ylpyridine-3-carboximidamide

N-(4-chlorophenyl)-N'-propan-2-ylpyridine-3-carboximidamide (PubChem CID 3792618) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-propan-2-ylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-propan-2-ylpyridine-3-carboximidamide
PubChem CID3792618
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC NameN-(4-chlorophenyl)-N'-propan-2-ylpyridine-3-carboximidamide
SMILESCC(C)/N=C(/Nc1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C15H16ClN3/c1-11(2)18-15(12-4-3-9-17-10-12)19-14-7-5-13(16)6-8-14/h3-11H,1-2H3,(H,18,19)
InChIKeyNPBJOTYNAIDZFU-UHFFFAOYSA-N
XLogP4.00
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-chlorophenyl)-N'-propan-2-ylpyridine-3-carboximidamide?
The IUPAC name of N-(4-chlorophenyl)-N'-propan-2-ylpyridine-3-carboximidamide (CID 3792618) is N-(4-chlorophenyl)-N'-propan-2-ylpyridine-3-carboximidamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-propan-2-ylpyridine-3-carboximidamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-propan-2-ylpyridine-3-carboximidamide is CC(C)/N=C(/Nc1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-propan-2-ylpyridine-3-carboximidamide?
The InChIKey is NPBJOTYNAIDZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-11(2)18-15(12-4-3-9-17-10-12)19-14-7-5-13(16)6-8-14/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-N'-propan-2-ylpyridine-3-carboximidamide?
N-(4-chlorophenyl)-N'-propan-2-ylpyridine-3-carboximidamide has a molecular weight of 273.77 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-propan-2-ylpyridine-3-carboximidamide is sourced from PubChem (CID 3792618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).