3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile

C18H26N4O — CID 99858274

IUPAC3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESCc1ccc(N2CC[C@@H](OCCN3CCCCC3)C2)nc1C#N
InChIInChI=1S/C18H26N4O/c1-15-5-6-18(20-17(15)13-19)22-10-7-16(14-22)23-12-11-21-8-3-2-4-9-21/h5-6,16H,2-4,7-12,14H2,1H3/t16-/m1/s1
InChIKeyVESJYSNCXNSHAY-MRXNPFEDSA-N
MW314.43 g/mol
LogP2.34
Rot. Bonds5

About 3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile

3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile (PubChem CID 99858274) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile
PubChem CID99858274
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESCc1ccc(N2CC[C@@H](OCCN3CCCCC3)C2)nc1C#N
InChIInChI=1S/C18H26N4O/c1-15-5-6-18(20-17(15)13-19)22-10-7-16(14-22)23-12-11-21-8-3-2-4-9-21/h5-6,16H,2-4,7-12,14H2,1H3/t16-/m1/s1
InChIKeyVESJYSNCXNSHAY-MRXNPFEDSA-N
XLogP2.34
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-6-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 99858275
4-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]cinnoline-3-carbonitrile
CID 97017391
4-acetyl-3-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]benzonitrile
CID 75521246
2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile
CID 127386584
3-nitro-6-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 133421452
3-[(1S)-1-methoxyethyl]-5-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 100743335
3-amino-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 103468387
(2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122059695
3-chloro-6-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carbonitrile
CID 133322524
4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile
CID 103760393
6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline
CID 133368472
N-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide
CID 71852325

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile (CID 99858274) is 3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile is Cc1ccc(N2CC[C@@H](OCCN3CCCCC3)C2)nc1C#N.
What is the InChIKey of 3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is VESJYSNCXNSHAY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N4O/c1-15-5-6-18(20-17(15)13-19)22-10-7-16(14-22)23-12-11-21-8-3-2-4-9-21/h5-6,16H,2-4,7-12,14H2,1H3/t16-/m1/s1.
What are the key properties of 3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile?
3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 314.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(3R)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 99858274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).