2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile

C21H22N4 — CID 5088548

IUPAC2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile
SMILESCC(C)Cc1ccc(-c2cc(-c3cccn3C)c(C#N)c(N)n2)cc1
InChIInChI=1S/C21H22N4/c1-14(2)11-15-6-8-16(9-7-15)19-12-17(18(13-22)21(23)24-19)20-5-4-10-25(20)3/h4-10,12,14H,11H2,1-3H3,(H2,23,24)
InChIKeyTXZODEXBFWSRTN-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.41
Rot. Bonds4

About 2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile

2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile (PubChem CID 5088548) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile
PubChem CID5088548
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile
SMILESCC(C)Cc1ccc(-c2cc(-c3cccn3C)c(C#N)c(N)n2)cc1
InChIInChI=1S/C21H22N4/c1-14(2)11-15-6-8-16(9-7-15)19-12-17(18(13-22)21(23)24-19)20-5-4-10-25(20)3/h4-10,12,14H,11H2,1-3H3,(H2,23,24)
InChIKeyTXZODEXBFWSRTN-UHFFFAOYSA-N
XLogP4.41
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
CID 5088555
2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
CID 5088737
2-amino-6-[4-(2-methylpropyl)phenyl]-4-(4-octoxyphenyl)pyridine-3-carbonitrile
CID 5088898
2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile
CID 679608
2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3350002
2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
CID 5088040
2-amino-6-pyridin-3-yl-4-(1-pyridin-3-ylpyrrol-2-yl)pyridine-3-carbonitrile
CID 56753845
2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
CID 5153870
2-amino-4-(2,4-dichlorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 4636737
2-amino-6-(3,4-dichlorophenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
CID 3523944
2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 4636733
2-amino-6-(4-methylphenyl)-4-pyridin-2-ylpyridine-3-carbonitrile
CID 3365204

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile (CID 5088548) is 2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile is CC(C)Cc1ccc(-c2cc(-c3cccn3C)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile?
The InChIKey is TXZODEXBFWSRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-14(2)11-15-6-8-16(9-7-15)19-12-17(18(13-22)21(23)24-19)20-5-4-10-25(20)3/h4-10,12,14H,11H2,1-3H3,(H2,23,24).
What are the key properties of 2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile?
2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile has a molecular weight of 330.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 5088548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).