4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile

C17H19N3 — CID 63882521

IUPAC4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
SMILESCC(CCc1ccccc1)NCc1ccnc(C#N)c1
InChIInChI=1S/C17H19N3/c1-14(7-8-15-5-3-2-4-6-15)20-13-16-9-10-19-17(11-16)12-18/h2-6,9-11,14,20H,7-8,13H2,1H3
InChIKeyQSEKMVYXGSTKPU-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.06
Rot. Bonds6

About 4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile

4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile (PubChem CID 63882521) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
PubChem CID63882521
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
SMILESCC(CCc1ccccc1)NCc1ccnc(C#N)c1
InChIInChI=1S/C17H19N3/c1-14(7-8-15-5-3-2-4-6-15)20-13-16-9-10-19-17(11-16)12-18/h2-6,9-11,14,20H,7-8,13H2,1H3
InChIKeyQSEKMVYXGSTKPU-UHFFFAOYSA-N
XLogP3.06
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
CID 17206485
4-[(but-3-yn-2-ylamino)methyl]pyridine-2-carbonitrile
CID 114416679
4-[(3,3-dimethylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 115752803
4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile
CID 63883285
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211336
4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63882119
4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 63881345
(2S)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbutan-2-amine
CID 97221084
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63882717
methyl 2-[(2-cyano-4-pyridinyl)methylamino]propanoate
CID 63880745
2-[(2-cyano-4-pyridinyl)methylamino]-N-propylpropanamide
CID 63883092
4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63883271

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile (CID 63882521) is 4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile is CC(CCc1ccccc1)NCc1ccnc(C#N)c1.
What is the InChIKey of 4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile?
The InChIKey is QSEKMVYXGSTKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-14(7-8-15-5-3-2-4-6-15)20-13-16-9-10-19-17(11-16)12-18/h2-6,9-11,14,20H,7-8,13H2,1H3.
What are the key properties of 4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile?
4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63882521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).