N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide

C24H29N5O — CID 47057738

IUPACN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3cc4cc(C)ccc4nc3C)cn2)CC1
InChIInChI=1S/C24H29N5O/c1-4-28-9-11-29(12-10-28)23-8-6-19(15-25-23)16-26-24(30)21-14-20-13-17(2)5-7-22(20)27-18(21)3/h5-8,13-15H,4,9-12,16H2,1-3H3,(H,26,30)
InChIKeyGGXXMBRQGKAWKK-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.32
Rot. Bonds5

About N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide (PubChem CID 47057738) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide
PubChem CID47057738
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3cc4cc(C)ccc4nc3C)cn2)CC1
InChIInChI=1S/C24H29N5O/c1-4-28-9-11-29(12-10-28)23-8-6-19(15-25-23)16-26-24(30)21-14-20-13-17(2)5-7-22(20)27-18(21)3/h5-8,13-15H,4,9-12,16H2,1-3H3,(H,26,30)
InChIKeyGGXXMBRQGKAWKK-UHFFFAOYSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide with MolForge

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Related Compounds

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56540018
ethyl 6-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate
CID 55744407
2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528042
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide
CID 11638950
1-(4-chlorophenyl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78879226
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55744204
5-(4-ethylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109278578
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide
CID 55744551
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55744150
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55965063
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
CID 146083518
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide
CID 51283562

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide (CID 47057738) is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide is CCN1CCN(c2ccc(CNC(=O)c3cc4cc(C)ccc4nc3C)cn2)CC1.
What is the InChIKey of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is GGXXMBRQGKAWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-4-28-9-11-29(12-10-28)23-8-6-19(15-25-23)16-26-24(30)21-14-20-13-17(2)5-7-22(20)27-18(21)3/h5-8,13-15H,4,9-12,16H2,1-3H3,(H,26,30).
What are the key properties of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide?
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 47057738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).