2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide

C21H29N5O3S — CID 166097562

IUPAC2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCC(NCc2ccncc2)CC1)c1cccnc1N1CCOCC1
InChIInChI=1S/C21H29N5O3S/c27-30(28,20-2-1-9-23-21(20)26-12-14-29-15-13-26)25-19-5-3-18(4-6-19)24-16-17-7-10-22-11-8-17/h1-2,7-11,18-19,24-25H,3-6,12-16H2
InChIKeyCREOHJUNSWEQCJ-UHFFFAOYSA-N
MW431.56 g/mol
LogP1.69
Rot. Bonds7

About 2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide

2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide (PubChem CID 166097562) has the molecular formula C21H29N5O3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide
PubChem CID166097562
Molecular FormulaC21H29N5O3S
Molecular Weight431.56 g/mol
Exact Mass431.20
IUPAC Name2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCC(NCc2ccncc2)CC1)c1cccnc1N1CCOCC1
InChIInChI=1S/C21H29N5O3S/c27-30(28,20-2-1-9-23-21(20)26-12-14-29-15-13-26)25-19-5-3-18(4-6-19)24-16-17-7-10-22-11-8-17/h1-2,7-11,18-19,24-25H,3-6,12-16H2
InChIKeyCREOHJUNSWEQCJ-UHFFFAOYSA-N
XLogP1.69
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-(pyridin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675588
N-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide
CID 83025778
N-(pyridin-4-ylmethyl)cyclooctanamine
CID 4722994
N-[[4-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 62974165
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
N-(pyridin-4-ylmethyl)oxolan-3-amine
CID 63331890
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62283630
1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51085983
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
CID 62663053
2-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline
CID 43229589
N-[[2-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62283293
2-chloro-N-cyclobutylpyridine-3-sulfonamide
CID 62414188

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide?
The IUPAC name of 2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide (CID 166097562) is 2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide is O=S(=O)(NC1CCC(NCc2ccncc2)CC1)c1cccnc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide?
The InChIKey is CREOHJUNSWEQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3S/c27-30(28,20-2-1-9-23-21(20)26-12-14-29-15-13-26)25-19-5-3-18(4-6-19)24-16-17-7-10-22-11-8-17/h1-2,7-11,18-19,24-25H,3-6,12-16H2.
What are the key properties of 2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide?
2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide has a molecular weight of 431.56 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridine-3-sulfonamide is sourced from PubChem (CID 166097562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).