3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile

C16H23FN4 — CID 105385441

IUPAC3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile
SMILESCC(C)(C)NCc1ccnc(N(CCC#N)C2CC2)c1F
InChIInChI=1S/C16H23FN4/c1-16(2,3)20-11-12-7-9-19-15(14(12)17)21(10-4-8-18)13-5-6-13/h7,9,13,20H,4-6,10-11H2,1-3H3
InChIKeyUCKRRGFHBFTKRA-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.99
Rot. Bonds6

About 3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile

3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile (PubChem CID 105385441) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile.

Molecular Properties

Compound Name3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile
PubChem CID105385441
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile
SMILESCC(C)(C)NCc1ccnc(N(CCC#N)C2CC2)c1F
InChIInChI=1S/C16H23FN4/c1-16(2,3)20-11-12-7-9-19-15(14(12)17)21(10-4-8-18)13-5-6-13/h7,9,13,20H,4-6,10-11H2,1-3H3
InChIKeyUCKRRGFHBFTKRA-UHFFFAOYSA-N
XLogP2.99
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 105389388
N-cyclopropyl-3-fluoro-N-(3-methylbutyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105389656
4-[(tert-butylamino)methyl]-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 105386398
4-[(tert-butylamino)methyl]-N-ethyl-3-fluoro-N-propylpyridin-2-amine
CID 105384745
3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile
CID 82817619
N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105390010
4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine
CID 105384781
4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine
CID 105389359
4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
CID 105389659
4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine
CID 105383476
3-[(tert-butylamino)methyl]-N-cyclopropyl-N-(cyclopropylmethyl)pyridin-2-amine
CID 64521673
N-[[2-(3,4-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105387593

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile?
The IUPAC name of 3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile (CID 105385441) is 3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile.
What is the SMILES notation for 3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile?
The canonical SMILES for 3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile is CC(C)(C)NCc1ccnc(N(CCC#N)C2CC2)c1F.
What is the InChIKey of 3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile?
The InChIKey is UCKRRGFHBFTKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-16(2,3)20-11-12-7-9-19-15(14(12)17)21(10-4-8-18)13-5-6-13/h7,9,13,20H,4-6,10-11H2,1-3H3.
What are the key properties of 3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile?
3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile has a molecular weight of 290.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile is sourced from PubChem (CID 105385441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).