N'-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidamide

C16H16F3N3 — CID 3421241

IUPACN'-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidamide
SMILESCC(C)/N=C(/Nc1cccc(C(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C16H16F3N3/c1-11(2)21-15(12-6-8-20-9-7-12)22-14-5-3-4-13(10-14)16(17,18)19/h3-11H,1-2H3,(H,21,22)
InChIKeyXWBVLOLKOWPFFJ-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.37
Rot. Bonds3

About N'-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidamide

N'-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidamide (PubChem CID 3421241) has the molecular formula C16H16F3N3 and a molecular weight of 307.32 g/mol. Its IUPAC name is N'-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidamide
PubChem CID3421241
Molecular FormulaC16H16F3N3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC NameN'-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidamide
SMILESCC(C)/N=C(/Nc1cccc(C(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C16H16F3N3/c1-11(2)21-15(12-6-8-20-9-7-12)22-14-5-3-4-13(10-14)16(17,18)19/h3-11H,1-2H3,(H,21,22)
InChIKeyXWBVLOLKOWPFFJ-UHFFFAOYSA-N
XLogP4.37
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.37
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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Related Compounds

N'-propan-2-yl-N-pyridin-1-ium-3-yl-3-(trifluoromethyl)benzenecarboximidamide
CID 135737274
1,3-bis[3-(trifluoromethyl)phenyl]thiourea
CID 2803092
1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 2807300
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
1-[4-(pyridin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10248635
N-[3-(trifluoromethyl)phenyl]ethanethioamide
CID 3038368
1-N-(pyridin-4-ylmethyl)-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109055233
2-methyl-3-sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 167244697
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 62853406
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
(E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide
CID 127125729

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidamide?
The IUPAC name of N'-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidamide (CID 3421241) is N'-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidamide.
What is the SMILES notation for N'-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidamide?
The canonical SMILES for N'-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidamide is CC(C)/N=C(/Nc1cccc(C(F)(F)F)c1)c1ccncc1.
What is the InChIKey of N'-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidamide?
The InChIKey is XWBVLOLKOWPFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3/c1-11(2)21-15(12-6-8-20-9-7-12)22-14-5-3-4-13(10-14)16(17,18)19/h3-11H,1-2H3,(H,21,22).
What are the key properties of N'-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidamide?
N'-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidamide has a molecular weight of 307.32 g/mol, XLogP of 4.37, 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-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidamide is sourced from PubChem (CID 3421241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).