N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide

C20H22N4O — CID 47031660

IUPACN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)NCc3cccnc3N(C)C)c(C)nc2c1
InChIInChI=1S/C20H22N4O/c1-13-7-8-15-11-17(14(2)23-18(15)10-13)20(25)22-12-16-6-5-9-21-19(16)24(3)4/h5-11H,12H2,1-4H3,(H,22,25)
InChIKeyOTHBLXAKWQHUIJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.24
Rot. Bonds4

About N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide (PubChem CID 47031660) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide
PubChem CID47031660
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)NCc3cccnc3N(C)C)c(C)nc2c1
InChIInChI=1S/C20H22N4O/c1-13-7-8-15-11-17(14(2)23-18(15)10-13)20(25)22-12-16-6-5-9-21-19(16)24(3)4/h5-11H,12H2,1-4H3,(H,22,25)
InChIKeyOTHBLXAKWQHUIJ-UHFFFAOYSA-N
XLogP3.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-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

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 56752240
N-[(2-butoxy-3-pyridinyl)methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 60589587
N-(3-hydroxypropyl)-2,7-dimethylquinoline-3-carboxamide
CID 78870006
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 24550324
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
CID 42195214
2-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-sulfamoylbenzamide
CID 55692623
N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide
CID 38797474
N-[[2-(diethylaminomethyl)phenyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 17492677
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylquinoline-3-carboxamide
CID 86986167
7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 55692957
2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide
CID 55984779
2-(dimethylamino)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]pyridine-3-carboxamide
CID 110616799

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide (CID 47031660) is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide is Cc1ccc2cc(C(=O)NCc3cccnc3N(C)C)c(C)nc2c1.
What is the InChIKey of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide?
The InChIKey is OTHBLXAKWQHUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13-7-8-15-11-17(14(2)23-18(15)10-13)20(25)22-12-16-6-5-9-21-19(16)24(3)4/h5-11H,12H2,1-4H3,(H,22,25).
What are the key properties of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide?
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2,7-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 47031660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).