N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide

C21H28N4O2 — CID 97277175

IUPACN-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)c(C)c(C(=O)NCCN3CCC[C@H](C(N)=O)C3)c2c1
InChIInChI=1S/C21H28N4O2/c1-13-6-7-18-17(11-13)19(14(2)15(3)24-18)21(27)23-8-10-25-9-4-5-16(12-25)20(22)26/h6-7,11,16H,4-5,8-10,12H2,1-3H3,(H2,22,26)(H,23,27)/t16-/m0/s1
InChIKeyYNCMXFCWAFUNIE-INIZCTEOSA-N
MW368.48 g/mol
LogP2.09
Rot. Bonds5

About N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide

N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide (PubChem CID 97277175) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide
PubChem CID97277175
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)c(C)c(C(=O)NCCN3CCC[C@H](C(N)=O)C3)c2c1
InChIInChI=1S/C21H28N4O2/c1-13-6-7-18-17(11-13)19(14(2)15(3)24-18)21(27)23-8-10-25-9-4-5-16(12-25)20(22)26/h6-7,11,16H,4-5,8-10,12H2,1-3H3,(H2,22,26)(H,23,27)/t16-/m0/s1
InChIKeyYNCMXFCWAFUNIE-INIZCTEOSA-N
XLogP2.09
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 74240532
N-[(3R)-1-acetylpiperidin-3-yl]-2,3,6-trimethylquinoline-4-carboxamide
CID 97274873
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 74248067
(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 28733147
4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide
CID 10828011
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide
CID 77084193
2,3,6-trimethyl-N-[3-(triazol-1-yl)propyl]quinoline-4-carboxamide
CID 72916863
1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 74246457
(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 99944023
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 74251449
1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 121496561
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72874902

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide?
The IUPAC name of N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide (CID 97277175) is N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide?
The canonical SMILES for N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide is Cc1ccc2nc(C)c(C)c(C(=O)NCCN3CCC[C@H](C(N)=O)C3)c2c1.
What is the InChIKey of N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide?
The InChIKey is YNCMXFCWAFUNIE-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-13-6-7-18-17(11-13)19(14(2)15(3)24-18)21(27)23-8-10-25-9-4-5-16(12-25)20(22)26/h6-7,11,16H,4-5,8-10,12H2,1-3H3,(H2,22,26)(H,23,27)/t16-/m0/s1.
What are the key properties of N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide?
N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 97277175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).