N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide

C21H21N5O2 — CID 118026003

IUPACN-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2C[C@H](C)CN(c3ccc(C#N)c4ncccc34)C2)no1
InChIInChI=1S/C21H21N5O2/c1-13-8-16(24-21(27)18-9-14(2)28-25-18)12-26(11-13)19-6-5-15(10-22)20-17(19)4-3-7-23-20/h3-7,9,13,16H,8,11-12H2,1-2H3,(H,24,27)/t13-,16+/m0/s1
InChIKeyQXUSKLVETMNXKJ-XJKSGUPXSA-N
MW375.43 g/mol
LogP3.05
Rot. Bonds3

About N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 118026003) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID118026003
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2C[C@H](C)CN(c3ccc(C#N)c4ncccc34)C2)no1
InChIInChI=1S/C21H21N5O2/c1-13-8-16(24-21(27)18-9-14(2)28-25-18)12-26(11-13)19-6-5-15(10-22)20-17(19)4-3-7-23-20/h3-7,9,13,16H,8,11-12H2,1-2H3,(H,24,27)/t13-,16+/m0/s1
InChIKeyQXUSKLVETMNXKJ-XJKSGUPXSA-N
XLogP3.05
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

(2S)-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxy-3-methylbutanamide
CID 121411608
5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile
CID 121411610
(2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide
CID 121411655
3-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]butanamide
CID 121411574
2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide
CID 121411666
5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile
CID 121411625
(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
5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile
CID 118026028
2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
CID 129241344
N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]cyclopentanecarboxamide
CID 166764754
[3-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid
CID 129240989

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 118026003) is N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H]2C[C@H](C)CN(c3ccc(C#N)c4ncccc34)C2)no1.
What is the InChIKey of N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QXUSKLVETMNXKJ-XJKSGUPXSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-8-16(24-21(27)18-9-14(2)28-25-18)12-26(11-13)19-6-5-15(10-22)20-17(19)4-3-7-23-20/h3-7,9,13,16H,8,11-12H2,1-2H3,(H,24,27)/t13-,16+/m0/s1.
What are the key properties of N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118026003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).