N-[6-[(3-cyanophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-(4-methylpiperidin-1-yl)acetamide

C26H28N6O2 — CID 139222222

IUPACN-[6-[(3-cyanophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCC(C)CC2)c2cc(NC(=O)Nc3cccc(C#N)c3)ccc2n1
InChIInChI=1S/C26H28N6O2/c1-17-8-10-32(11-9-17)16-25(33)31-24-12-18(2)28-23-7-6-21(14-22(23)24)30-26(34)29-20-5-3-4-19(13-20)15-27/h3-7,12-14,17H,8-11,16H2,1-2H3,(H,28,31,33)(H2,29,30,34)
InChIKeyQNZRHWIVPXRREV-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.73
Rot. Bonds5

About N-[6-[(3-cyanophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-(4-methylpiperidin-1-yl)acetamide

N-[6-[(3-cyanophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 139222222) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[6-[(3-cyanophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-[(3-cyanophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID139222222
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC NameN-[6-[(3-cyanophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCC(C)CC2)c2cc(NC(=O)Nc3cccc(C#N)c3)ccc2n1
InChIInChI=1S/C26H28N6O2/c1-17-8-10-32(11-9-17)16-25(33)31-24-12-18(2)28-23-7-6-21(14-22(23)24)30-26(34)29-20-5-3-4-19(13-20)15-27/h3-7,12-14,17H,8-11,16H2,1-2H3,(H,28,31,33)(H2,29,30,34)
InChIKeyQNZRHWIVPXRREV-UHFFFAOYSA-N
XLogP4.73
TPSA110.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide
CID 44569723
N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide
CID 44569659
methyl 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742254
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide
CID 62062180
N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 115688555
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583
N-benzyl-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 25498632
N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088
2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide
CID 79993290
2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide
CID 3619977
N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 63768495

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3-cyanophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[6-[(3-cyanophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-(4-methylpiperidin-1-yl)acetamide (CID 139222222) is N-[6-[(3-cyanophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[6-[(3-cyanophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[6-[(3-cyanophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-(4-methylpiperidin-1-yl)acetamide is Cc1cc(NC(=O)CN2CCC(C)CC2)c2cc(NC(=O)Nc3cccc(C#N)c3)ccc2n1.
What is the InChIKey of N-[6-[(3-cyanophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is QNZRHWIVPXRREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-17-8-10-32(11-9-17)16-25(33)31-24-12-18(2)28-23-7-6-21(14-22(23)24)30-26(34)29-20-5-3-4-19(13-20)15-27/h3-7,12-14,17H,8-11,16H2,1-2H3,(H,28,31,33)(H2,29,30,34).
What are the key properties of N-[6-[(3-cyanophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-(4-methylpiperidin-1-yl)acetamide?
N-[6-[(3-cyanophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 456.55 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3-cyanophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 139222222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).