1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile

C26H25N3S — CID 144927700

IUPAC1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile
SMILESCN1C=CC(c2ccc(-c3ccc4cc(N5CCCCC5)ccc4c3)s2)=C(C#N)C1
InChIInChI=1S/C26H25N3S/c1-28-14-11-24(22(17-27)18-28)26-10-9-25(30-26)21-6-5-20-16-23(8-7-19(20)15-21)29-12-3-2-4-13-29/h5-11,14-16H,2-4,12-13,18H2,1H3
InChIKeyDVVUYXRGHIANSO-UHFFFAOYSA-N
MW411.57 g/mol
LogP6.29
Rot. Bonds3

About 1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile

1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile (PubChem CID 144927700) has the molecular formula C26H25N3S and a molecular weight of 411.57 g/mol. Its IUPAC name is 1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile
PubChem CID144927700
Molecular FormulaC26H25N3S
Molecular Weight411.57 g/mol
Exact Mass411.18
IUPAC Name1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile
SMILESCN1C=CC(c2ccc(-c3ccc4cc(N5CCCCC5)ccc4c3)s2)=C(C#N)C1
InChIInChI=1S/C26H25N3S/c1-28-14-11-24(22(17-27)18-28)26-10-9-25(30-26)21-6-5-20-16-23(8-7-19(20)15-21)29-12-3-2-4-13-29/h5-11,14-16H,2-4,12-13,18H2,1H3
InChIKeyDVVUYXRGHIANSO-UHFFFAOYSA-N
XLogP6.29
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.57
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile
CID 144927699
ethane;1-methyl-4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile
CID 144927816
ethane;1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]-2H-pyridine-3-carbonitrile
CID 145041483
4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile
CID 144927855
1-methyl-4-[1-methyl-5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]pyrrol-2-yl]-2H-pyridine-3-carbonitrile
CID 145041444
ethane;1-methyl-4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2H-pyridine-3-carbonitrile
CID 156709072
ethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile
CID 145041366
2-cyano-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide
CID 123178883
4-[5-(4-piperidin-1-ylphenyl)thiophen-2-yl]-2H-pyridin-2-ide-3-carbonitrile;rhenium
CID 153371390
1-(23-piperidin-1-yl-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-9-yl)piperidine
CID 155361898
(E)-1-cyano-2-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]prop-1-ene-1-sulfonamide
CID 144927734
3-ethyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-(6-piperidin-1-ylnaphthalen-2-yl)benzonitrile
CID 123978524

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile?
The IUPAC name of 1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile (CID 144927700) is 1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile.
What is the SMILES notation for 1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile?
The canonical SMILES for 1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile is CN1C=CC(c2ccc(-c3ccc4cc(N5CCCCC5)ccc4c3)s2)=C(C#N)C1.
What is the InChIKey of 1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile?
The InChIKey is DVVUYXRGHIANSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3S/c1-28-14-11-24(22(17-27)18-28)26-10-9-25(30-26)21-6-5-20-16-23(8-7-19(20)15-21)29-12-3-2-4-13-29/h5-11,14-16H,2-4,12-13,18H2,1H3.
What are the key properties of 1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile?
1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile has a molecular weight of 411.57 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile is sourced from PubChem (CID 144927700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).