N-[(6-methoxy-3-pyridinyl)methyl]-1-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine

C22H31N5O4S — CID 174214879

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-1-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine
SMILESCOc1ccc(CNCC2CCCN(S(=O)(=O)c3ccc(N4CCOCC4)nc3)C2)cn1
InChIInChI=1S/C22H31N5O4S/c1-30-22-7-4-18(15-25-22)13-23-14-19-3-2-8-27(17-19)32(28,29)20-5-6-21(24-16-20)26-9-11-31-12-10-26/h4-7,15-16,19,23H,2-3,8-14,17H2,1H3
InChIKeyVZXRTIRUINGXCE-UHFFFAOYSA-N
MW461.59 g/mol
LogP1.51
Rot. Bonds8

About N-[(6-methoxy-3-pyridinyl)methyl]-1-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine

N-[(6-methoxy-3-pyridinyl)methyl]-1-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine (PubChem CID 174214879) has the molecular formula C22H31N5O4S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-1-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-1-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine
PubChem CID174214879
Molecular FormulaC22H31N5O4S
Molecular Weight461.59 g/mol
Exact Mass461.21
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-1-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine
SMILESCOc1ccc(CNCC2CCCN(S(=O)(=O)c3ccc(N4CCOCC4)nc3)C2)cn1
InChIInChI=1S/C22H31N5O4S/c1-30-22-7-4-18(15-25-22)13-23-14-19-3-2-8-27(17-19)32(28,29)20-5-6-21(24-16-20)26-9-11-31-12-10-26/h4-7,15-16,19,23H,2-3,8-14,17H2,1H3
InChIKeyVZXRTIRUINGXCE-UHFFFAOYSA-N
XLogP1.51
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(6-methoxy-3-pyridinyl)methyl]-1-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine with MolForge

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Related Compounds

1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 51078466
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxan-3-yl)methanamine
CID 55241639
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 38529319
methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate
CID 25469683
N-methyl-1-[1-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine
CID 120998995
1-(4-chlorophenyl)sulfonyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 55846332
N-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]azepan-3-yl]prop-2-enamide
CID 89236153
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
4-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9311875
2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861830
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861829

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-1-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine (CID 174214879) is N-[(6-methoxy-3-pyridinyl)methyl]-1-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-1-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-1-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine is COc1ccc(CNCC2CCCN(S(=O)(=O)c3ccc(N4CCOCC4)nc3)C2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-1-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine?
The InChIKey is VZXRTIRUINGXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4S/c1-30-22-7-4-18(15-25-22)13-23-14-19-3-2-8-27(17-19)32(28,29)20-5-6-21(24-16-20)26-9-11-31-12-10-26/h4-7,15-16,19,23H,2-3,8-14,17H2,1H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-1-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine?
N-[(6-methoxy-3-pyridinyl)methyl]-1-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine has a molecular weight of 461.59 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-1-[1-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 174214879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).