N'-propan-2-yl-N-pyridin-3-ylbenzenecarboximidamide

C15H17N3 — CID 3809362

IUPACN'-propan-2-yl-N-pyridin-3-ylbenzenecarboximidamide
SMILESCC(C)/N=C(/Nc1cccnc1)c1ccccc1
InChIInChI=1S/C15H17N3/c1-12(2)17-15(13-7-4-3-5-8-13)18-14-9-6-10-16-11-14/h3-12H,1-2H3,(H,17,18)
InChIKeyNFYMAGGQVBTMMK-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.35
Rot. Bonds3

About N'-propan-2-yl-N-pyridin-3-ylbenzenecarboximidamide

N'-propan-2-yl-N-pyridin-3-ylbenzenecarboximidamide (PubChem CID 3809362) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N'-propan-2-yl-N-pyridin-3-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-propan-2-yl-N-pyridin-3-ylbenzenecarboximidamide
PubChem CID3809362
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN'-propan-2-yl-N-pyridin-3-ylbenzenecarboximidamide
SMILESCC(C)/N=C(/Nc1cccnc1)c1ccccc1
InChIInChI=1S/C15H17N3/c1-12(2)17-15(13-7-4-3-5-8-13)18-14-9-6-10-16-11-14/h3-12H,1-2H3,(H,17,18)
InChIKeyNFYMAGGQVBTMMK-UHFFFAOYSA-N
XLogP3.35
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.35
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'-propan-2-yl-N-pyridin-3-ylbenzenecarboximidamide?
The IUPAC name of N'-propan-2-yl-N-pyridin-3-ylbenzenecarboximidamide (CID 3809362) is N'-propan-2-yl-N-pyridin-3-ylbenzenecarboximidamide.
What is the SMILES notation for N'-propan-2-yl-N-pyridin-3-ylbenzenecarboximidamide?
The canonical SMILES for N'-propan-2-yl-N-pyridin-3-ylbenzenecarboximidamide is CC(C)/N=C(/Nc1cccnc1)c1ccccc1.
What is the InChIKey of N'-propan-2-yl-N-pyridin-3-ylbenzenecarboximidamide?
The InChIKey is NFYMAGGQVBTMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-12(2)17-15(13-7-4-3-5-8-13)18-14-9-6-10-16-11-14/h3-12H,1-2H3,(H,17,18).
What are the key properties of N'-propan-2-yl-N-pyridin-3-ylbenzenecarboximidamide?
N'-propan-2-yl-N-pyridin-3-ylbenzenecarboximidamide has a molecular weight of 239.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-pyridin-3-ylbenzenecarboximidamide is sourced from PubChem (CID 3809362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).