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

C26H32N6O — CID 56540018

IUPACN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3cc4ccccc4nc3N3CCCC3)cn2)CC1
InChIInChI=1S/C26H32N6O/c1-2-30-13-15-31(16-14-30)24-10-9-20(18-27-24)19-28-26(33)22-17-21-7-3-4-8-23(21)29-25(22)32-11-5-6-12-32/h3-4,7-10,17-18H,2,5-6,11-16,19H2,1H3,(H,28,33)
InChIKeyRVBUSZHDWABDGS-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.30
Rot. Bonds6

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

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide (PubChem CID 56540018) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
PubChem CID56540018
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3cc4ccccc4nc3N3CCCC3)cn2)CC1
InChIInChI=1S/C26H32N6O/c1-2-30-13-15-31(16-14-30)24-10-9-20(18-27-24)19-28-26(33)22-17-21-7-3-4-8-23(21)29-25(22)32-11-5-6-12-32/h3-4,7-10,17-18H,2,5-6,11-16,19H2,1H3,(H,28,33)
InChIKeyRVBUSZHDWABDGS-UHFFFAOYSA-N
XLogP3.30
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56540241
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide
CID 47057738
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55965063
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide
CID 11638950
2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528042
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430632
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
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
2-methyl-5-methylsulfanyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 30832353
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220847
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
CID 146083518

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide (CID 56540018) is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide.
What is the SMILES notation for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The canonical SMILES for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide is CCN1CCN(c2ccc(CNC(=O)c3cc4ccccc4nc3N3CCCC3)cn2)CC1.
What is the InChIKey of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The InChIKey is RVBUSZHDWABDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O/c1-2-30-13-15-31(16-14-30)24-10-9-20(18-27-24)19-28-26(33)22-17-21-7-3-4-8-23(21)29-25(22)32-11-5-6-12-32/h3-4,7-10,17-18H,2,5-6,11-16,19H2,1H3,(H,28,33).
What are the key properties of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide?
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide is sourced from PubChem (CID 56540018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).