5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile

C15H21N3 — CID 176693130

IUPAC5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(C#N)cnc1N1CCC(C(C)C)CC1
InChIInChI=1S/C15H21N3/c1-11(2)14-4-6-18(7-5-14)15-12(3)8-13(9-16)10-17-15/h8,10-11,14H,4-7H2,1-3H3
InChIKeyHHWAFDLWCTYYTC-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.13
Rot. Bonds2

About 5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile

5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile (PubChem CID 176693130) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
PubChem CID176693130
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(C#N)cnc1N1CCC(C(C)C)CC1
InChIInChI=1S/C15H21N3/c1-11(2)14-4-6-18(7-5-14)15-12(3)8-13(9-16)10-17-15/h8,10-11,14H,4-7H2,1-3H3
InChIKeyHHWAFDLWCTYYTC-UHFFFAOYSA-N
XLogP3.13
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
CID 102544875
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile
CID 170925735
N-[[5-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 103499364
3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile
CID 102545053
4-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile
CID 112698409
5-methyl-6-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]pyridine-3-carbonitrile
CID 135251014
5-amino-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 103467481
6-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-5-methylpyridine-3-carbonitrile
CID 143982857
2-methyl-3-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 174276377

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile (CID 176693130) is 5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile is Cc1cc(C#N)cnc1N1CCC(C(C)C)CC1.
What is the InChIKey of 5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is HHWAFDLWCTYYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)14-4-6-18(7-5-14)15-12(3)8-13(9-16)10-17-15/h8,10-11,14H,4-7H2,1-3H3.
What are the key properties of 5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile?
5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 176693130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).