4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile

C14H15N3S — CID 63882119

IUPAC4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile
SMILESCC(Cc1ccsc1)NCc1ccnc(C#N)c1
InChIInChI=1S/C14H15N3S/c1-11(6-13-3-5-18-10-13)17-9-12-2-4-16-14(7-12)8-15/h2-5,7,10-11,17H,6,9H2,1H3
InChIKeyPJPRWCUHUFTABP-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.74
Rot. Bonds5

About 4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile

4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile (PubChem CID 63882119) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile
PubChem CID63882119
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile
SMILESCC(Cc1ccsc1)NCc1ccnc(C#N)c1
InChIInChI=1S/C14H15N3S/c1-11(6-13-3-5-18-10-13)17-9-12-2-4-16-14(7-12)8-15/h2-5,7,10-11,17H,6,9H2,1H3
InChIKeyPJPRWCUHUFTABP-UHFFFAOYSA-N
XLogP2.74
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile
CID 66352811
4-[(4-phenylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63882521
N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223934
4-[(but-3-yn-2-ylamino)methyl]pyridine-2-carbonitrile
CID 114416679
4-[(3,3-dimethylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 115752803
5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675695
N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821
N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223007
N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 115726363
3-chloro-4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]benzonitrile
CID 102664253
4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile
CID 63883285
4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 63881345

Frequently Asked Questions

What is the IUPAC name of 4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile (CID 63882119) is 4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile is CC(Cc1ccsc1)NCc1ccnc(C#N)c1.
What is the InChIKey of 4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile?
The InChIKey is PJPRWCUHUFTABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-11(6-13-3-5-18-10-13)17-9-12-2-4-16-14(7-12)8-15/h2-5,7,10-11,17H,6,9H2,1H3.
What are the key properties of 4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile?
4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile has a molecular weight of 257.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63882119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).