5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile

C23H25N5 — CID 118026028

IUPAC5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile
SMILESCC1C[C@@H](NC(C)c2ccccn2)CN(c2ccc(C#N)c3ncccc23)C1
InChIInChI=1S/C23H25N5/c1-16-12-19(27-17(2)21-7-3-4-10-25-21)15-28(14-16)22-9-8-18(13-24)23-20(22)6-5-11-26-23/h3-11,16-17,19,27H,12,14-15H2,1-2H3/t16?,17?,19-/m1/s1
InChIKeyRDPKDSKQGOIHDG-FAFZWHIHSA-N
MW371.49 g/mol
LogP4.07
Rot. Bonds4

About 5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile

5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile (PubChem CID 118026028) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile
PubChem CID118026028
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile
SMILESCC1C[C@@H](NC(C)c2ccccn2)CN(c2ccc(C#N)c3ncccc23)C1
InChIInChI=1S/C23H25N5/c1-16-12-19(27-17(2)21-7-3-4-10-25-21)15-28(14-16)22-9-8-18(13-24)23-20(22)6-5-11-26-23/h3-11,16-17,19,27H,12,14-15H2,1-2H3/t16?,17?,19-/m1/s1
InChIKeyRDPKDSKQGOIHDG-FAFZWHIHSA-N
XLogP4.07
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile
CID 121411610
(2S)-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxy-3-methylbutanamide
CID 121411608
3-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]butanamide
CID 121411574
5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile
CID 121411625
2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide
CID 121411666
(2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide
CID 121411655
(2R)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3-phenylpropanamide
CID 121411692
N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide
CID 121411624
N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118026003
5-[(3S,5S)-3-methyl-5-[(3R)-3-(4-methylpiperazin-1-yl)-2-oxobutyl]piperidin-1-yl]quinoline-8-carbonitrile
CID 158441484
5-[(3S,5S)-3-methyl-5-[(3S)-3-(4-methylpiperazin-1-yl)-2-oxobutyl]piperidin-1-yl]quinoline-8-carbonitrile
CID 158441485
5-[(4R,7R,8aS)-7-amino-4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoline-8-carbonitrile
CID 164578646

Frequently Asked Questions

What is the IUPAC name of 5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile (CID 118026028) is 5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile is CC1C[C@@H](NC(C)c2ccccn2)CN(c2ccc(C#N)c3ncccc23)C1.
What is the InChIKey of 5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile?
The InChIKey is RDPKDSKQGOIHDG-FAFZWHIHSA-N. The full InChI is InChI=1S/C23H25N5/c1-16-12-19(27-17(2)21-7-3-4-10-25-21)15-28(14-16)22-9-8-18(13-24)23-20(22)6-5-11-26-23/h3-11,16-17,19,27H,12,14-15H2,1-2H3/t16?,17?,19-/m1/s1.
What are the key properties of 5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile?
5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile has a molecular weight of 371.49 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 118026028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).