N,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide

C20H29N5O2S — CID 95834146

IUPACN,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(c2ccc(Nc3ncccc3C)cn2)CC1
InChIInChI=1S/C20H29N5O2S/c1-4-24(5-2)28(26,27)25-13-10-17(11-14-25)19-9-8-18(15-22-19)23-20-16(3)7-6-12-21-20/h6-9,12,15,17H,4-5,10-11,13-14H2,1-3H3,(H,21,23)
InChIKeyIVYWWTTYWHDMNT-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.29
Rot. Bonds7

About N,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide

N,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide (PubChem CID 95834146) has the molecular formula C20H29N5O2S and a molecular weight of 403.55 g/mol. Its IUPAC name is N,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide
PubChem CID95834146
Molecular FormulaC20H29N5O2S
Molecular Weight403.55 g/mol
Exact Mass403.20
IUPAC NameN,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(c2ccc(Nc3ncccc3C)cn2)CC1
InChIInChI=1S/C20H29N5O2S/c1-4-24(5-2)28(26,27)25-13-10-17(11-14-25)19-9-8-18(15-22-19)23-20-16(3)7-6-12-21-20/h6-9,12,15,17H,4-5,10-11,13-14H2,1-3H3,(H,21,23)
InChIKeyIVYWWTTYWHDMNT-UHFFFAOYSA-N
XLogP3.29
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide (CID 95834146) is N,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCC(c2ccc(Nc3ncccc3C)cn2)CC1.
What is the InChIKey of N,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide?
The InChIKey is IVYWWTTYWHDMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2S/c1-4-24(5-2)28(26,27)25-13-10-17(11-14-25)19-9-8-18(15-22-19)23-20-16(3)7-6-12-21-20/h6-9,12,15,17H,4-5,10-11,13-14H2,1-3H3,(H,21,23).
What are the key properties of N,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide?
N,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide has a molecular weight of 403.55 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide is sourced from PubChem (CID 95834146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).