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

C21H35N5O — CID 45240519

IUPAC6-(4-ethylpiperazin-1-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)NCC3CCN(CC(C)C)C3)cn2)CC1
InChIInChI=1S/C21H35N5O/c1-4-24-9-11-26(12-10-24)20-6-5-19(14-22-20)21(27)23-13-18-7-8-25(16-18)15-17(2)3/h5-6,14,17-18H,4,7-13,15-16H2,1-3H3,(H,23,27)
InChIKeyQZVRDDJKJFXWPX-UHFFFAOYSA-N
MW373.55 g/mol
LogP1.93
Rot. Bonds7

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

6-(4-ethylpiperazin-1-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 45240519) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID45240519
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name6-(4-ethylpiperazin-1-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)NCC3CCN(CC(C)C)C3)cn2)CC1
InChIInChI=1S/C21H35N5O/c1-4-24-9-11-26(12-10-24)20-6-5-19(14-22-20)21(27)23-13-18-7-8-25(16-18)15-17(2)3/h5-6,14,17-18H,4,7-13,15-16H2,1-3H3,(H,23,27)
InChIKeyQZVRDDJKJFXWPX-UHFFFAOYSA-N
XLogP1.93
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(5-oxo-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 95190641
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(5-oxo-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 56739938
6-(2,2-dimethylmorpholin-4-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 56756600
6-(cyclopropylamino)-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028030
6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028028
6-[(4-aminocyclohexyl)amino]-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 98308295
N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide
CID 95555888
2-[5-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methylcarbamoyl]-2-pyridinyl]benzoic acid
CID 95527694
6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 56862503
6-(6-methoxy-3-pyridinyl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 56869814
6-[[2-(dimethylamino)-2-oxoethyl]amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 56748549
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 25182094

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (CID 45240519) is 6-(4-ethylpiperazin-1-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is CCN1CCN(c2ccc(C(=O)NCC3CCN(CC(C)C)C3)cn2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is QZVRDDJKJFXWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-4-24-9-11-26(12-10-24)20-6-5-19(14-22-20)21(27)23-13-18-7-8-25(16-18)15-17(2)3/h5-6,14,17-18H,4,7-13,15-16H2,1-3H3,(H,23,27).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
6-(4-ethylpiperazin-1-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 373.55 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 45240519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).