N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C20H29N5O3S — CID 55346504

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(NCC(c3ccco3)N3CCCC3)nc2)CC1
InChIInChI=1S/C20H29N5O3S/c1-23-10-12-25(13-11-23)29(26,27)17-6-7-20(21-15-17)22-16-18(19-5-4-14-28-19)24-8-2-3-9-24/h4-7,14-15,18H,2-3,8-13,16H2,1H3,(H,21,22)
InChIKeyFTZVGAGCJPPADS-UHFFFAOYSA-N
MW419.55 g/mol
LogP1.86
Rot. Bonds7

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 55346504) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID55346504
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(NCC(c3ccco3)N3CCCC3)nc2)CC1
InChIInChI=1S/C20H29N5O3S/c1-23-10-12-25(13-11-23)29(26,27)17-6-7-20(21-15-17)22-16-18(19-5-4-14-28-19)24-8-2-3-9-24/h4-7,14-15,18H,2-3,8-13,16H2,1H3,(H,21,22)
InChIKeyFTZVGAGCJPPADS-UHFFFAOYSA-N
XLogP1.86
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine
CID 96510190
3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol
CID 133490784
6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile
CID 51300917
N-(4-methyl-2-morpholin-4-ylpentyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55521187
2-N,2-N-dimethyl-1-N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-3-phenylpropane-1,2-diamine
CID 55346850
3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol
CID 133490659
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 40986459
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 55365489
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine
CID 55465237
1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol
CID 55680878

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 55346504) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is CN1CCN(S(=O)(=O)c2ccc(NCC(c3ccco3)N3CCCC3)nc2)CC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is FTZVGAGCJPPADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-23-10-12-25(13-11-23)29(26,27)17-6-7-20(21-15-17)22-16-18(19-5-4-14-28-19)24-8-2-3-9-24/h4-7,14-15,18H,2-3,8-13,16H2,1H3,(H,21,22).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 419.55 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 55346504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).