N-[[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethyl]-1,1,1-trifluoromethanesulfinamide

C24H31F3N6O2S — CID 143495617

IUPACN-[[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethyl]-1,1,1-trifluoromethanesulfinamide
SMILESNc1cc(CN2CCC(C(=O)N3CCC(C(NS(=O)C(F)(F)F)c4ccccn4)CC3)CC2)ccn1
InChIInChI=1S/C24H31F3N6O2S/c25-24(26,27)36(35)31-22(20-3-1-2-9-29-20)18-7-13-33(14-8-18)23(34)19-5-11-32(12-6-19)16-17-4-10-30-21(28)15-17/h1-4,9-10,15,18-19,22,31H,5-8,11-14,16H2,(H2,28,30)
InChIKeyDTVOCNZWYNBFJW-UHFFFAOYSA-N
MW524.61 g/mol
LogP3.02
Rot. Bonds7

About N-[[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethyl]-1,1,1-trifluoromethanesulfinamide

N-[[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethyl]-1,1,1-trifluoromethanesulfinamide (PubChem CID 143495617) has the molecular formula C24H31F3N6O2S and a molecular weight of 524.61 g/mol. Its IUPAC name is N-[[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethyl]-1,1,1-trifluoromethanesulfinamide.

Molecular Properties

Compound NameN-[[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethyl]-1,1,1-trifluoromethanesulfinamide
PubChem CID143495617
Molecular FormulaC24H31F3N6O2S
Molecular Weight524.61 g/mol
Exact Mass524.22
IUPAC NameN-[[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethyl]-1,1,1-trifluoromethanesulfinamide
SMILESNc1cc(CN2CCC(C(=O)N3CCC(C(NS(=O)C(F)(F)F)c4ccccn4)CC3)CC2)ccn1
InChIInChI=1S/C24H31F3N6O2S/c25-24(26,27)36(35)31-22(20-3-1-2-9-29-20)18-7-13-33(14-8-18)23(34)19-5-11-32(12-6-19)16-17-4-10-30-21(28)15-17/h1-4,9-10,15,18-19,22,31H,5-8,11-14,16H2,(H2,28,30)
InChIKeyDTVOCNZWYNBFJW-UHFFFAOYSA-N
XLogP3.02
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.61
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethyl]-1,1,1-trifluoromethanesulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-pyridin-2-yl-N-(2,2,2-trifluoroethoxy)carbonimidoyl]piperidin-1-yl]methanone
CID 72642300
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-ethoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone
CID 21306788
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-propan-2-yloxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone
CID 59275079
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-propoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone
CID 10161945
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)piperidin-1-yl]methanone
CID 44816346
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2-methoxy-1-pyridin-2-ylethenyl)piperidin-1-yl]methanone
CID 71068075
[4-[(2-amino-5-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone
CID 89125704
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 58335010
1-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-3-(4,4,4-trifluorobutyl)benzimidazol-2-one
CID 58863165
N-[(S)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 92577274
[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone
CID 172957199
tert-butyl N-[4-[[4-[4-[2-(methanesulfonamido)-1-pyridin-2-ylethyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]carbamate
CID 71221910

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethyl]-1,1,1-trifluoromethanesulfinamide?
The IUPAC name of N-[[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethyl]-1,1,1-trifluoromethanesulfinamide (CID 143495617) is N-[[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethyl]-1,1,1-trifluoromethanesulfinamide.
What is the SMILES notation for N-[[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethyl]-1,1,1-trifluoromethanesulfinamide?
The canonical SMILES for N-[[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethyl]-1,1,1-trifluoromethanesulfinamide is Nc1cc(CN2CCC(C(=O)N3CCC(C(NS(=O)C(F)(F)F)c4ccccn4)CC3)CC2)ccn1.
What is the InChIKey of N-[[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethyl]-1,1,1-trifluoromethanesulfinamide?
The InChIKey is DTVOCNZWYNBFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N6O2S/c25-24(26,27)36(35)31-22(20-3-1-2-9-29-20)18-7-13-33(14-8-18)23(34)19-5-11-32(12-6-19)16-17-4-10-30-21(28)15-17/h1-4,9-10,15,18-19,22,31H,5-8,11-14,16H2,(H2,28,30).
What are the key properties of N-[[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethyl]-1,1,1-trifluoromethanesulfinamide?
N-[[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethyl]-1,1,1-trifluoromethanesulfinamide has a molecular weight of 524.61 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethyl]-1,1,1-trifluoromethanesulfinamide is sourced from PubChem (CID 143495617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).