1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide

C24H25N5O — CID 133320910

IUPAC1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESN#Cc1cnc2ccccc2c1NCc1cccc(CN2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C24H25N5O/c25-12-20-14-27-22-9-2-1-8-21(22)23(20)28-13-17-5-3-6-18(11-17)15-29-10-4-7-19(16-29)24(26)30/h1-3,5-6,8-9,11,14,19H,4,7,10,13,15-16H2,(H2,26,30)(H,27,28)
InChIKeyGOPYMQUBOUYTPW-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.42
Rot. Bonds6

About 1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide

1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 133320910) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID133320910
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESN#Cc1cnc2ccccc2c1NCc1cccc(CN2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C24H25N5O/c25-12-20-14-27-22-9-2-1-8-21(22)23(20)28-13-17-5-3-6-18(11-17)15-29-10-4-7-19(16-29)24(26)30/h1-3,5-6,8-9,11,14,19H,4,7,10,13,15-16H2,(H2,26,30)(H,27,28)
InChIKeyGOPYMQUBOUYTPW-UHFFFAOYSA-N
XLogP3.42
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-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

(3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 97160993
1-[[3-[(2-cyano-4-fluoroanilino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 133320904
1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125792
1-[[3-[[[2-(cyclopentanecarbonylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 86900740
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013
1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125840
1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 154865397
N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxoquinazoline-6-carboxamide
CID 166357720
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877009
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119877008
1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125867
1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119126186

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide (CID 133320910) is 1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide is N#Cc1cnc2ccccc2c1NCc1cccc(CN2CCCC(C(N)=O)C2)c1.
What is the InChIKey of 1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is GOPYMQUBOUYTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c25-12-20-14-27-22-9-2-1-8-21(22)23(20)28-13-17-5-3-6-18(11-17)15-29-10-4-7-19(16-29)24(26)30/h1-3,5-6,8-9,11,14,19H,4,7,10,13,15-16H2,(H2,26,30)(H,27,28).
What are the key properties of 1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide?
1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 133320910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).