3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile

C15H18N4OS — CID 103509301

IUPAC3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
SMILESCC(C)Oc1c(N(C)Cc2ccncc2)sc(C#N)c1N
InChIInChI=1S/C15H18N4OS/c1-10(2)20-14-13(17)12(8-16)21-15(14)19(3)9-11-4-6-18-7-5-11/h4-7,10H,9,17H2,1-3H3
InChIKeyJWALOUCBQCLNPT-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.02
Rot. Bonds5

About 3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile

3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile (PubChem CID 103509301) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
PubChem CID103509301
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
SMILESCC(C)Oc1c(N(C)Cc2ccncc2)sc(C#N)c1N
InChIInChI=1S/C15H18N4OS/c1-10(2)20-14-13(17)12(8-16)21-15(14)19(3)9-11-4-6-18-7-5-11/h4-7,10H,9,17H2,1-3H3
InChIKeyJWALOUCBQCLNPT-UHFFFAOYSA-N
XLogP3.02
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103509190
3-amino-5-(dimethylamino)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103420224
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103421473
3-amino-4-methoxy-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]thiophene-2-carbonitrile
CID 103421920
3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508793
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
CID 103509183
3-amino-5-[(4-fluorophenyl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103425991
3-amino-5-[(3-methylphenyl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103432138
1-[3-amino-4-propan-2-yloxy-5-(pyridin-4-ylmethylamino)thiophen-2-yl]ethanone
CID 103426694
2-amino-5-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 67884103
5-N-methyl-5-N-[(3-methylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361936
3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103418165

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile (CID 103509301) is 3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile is CC(C)Oc1c(N(C)Cc2ccncc2)sc(C#N)c1N.
What is the InChIKey of 3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile?
The InChIKey is JWALOUCBQCLNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10(2)20-14-13(17)12(8-16)21-15(14)19(3)9-11-4-6-18-7-5-11/h4-7,10H,9,17H2,1-3H3.
What are the key properties of 3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile?
3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile has a molecular weight of 302.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl(pyridin-4-ylmethyl)amino]-4-propan-2-yloxythiophene-2-carbonitrile is sourced from PubChem (CID 103509301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).