[6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate

C18H25N7O2 — CID 126612893

IUPAC[6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate
SMILESCCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2OC(N)=O)n1
InChIInChI=1S/C18H25N7O2/c1-2-11-6-5-9-15(21-11)23-14-10-16(24-25-17(14)27-18(20)26)22-13-8-4-3-7-12(13)19/h5-6,9-10,12-13H,2-4,7-8,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1
InChIKeyQVMYBDUCQMCDIV-QWHCGFSZSA-N
MW371.45 g/mol
LogP2.32
Rot. Bonds6

About [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate

[6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate (PubChem CID 126612893) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate.

Molecular Properties

Compound Name[6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate
PubChem CID126612893
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name[6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate
SMILESCCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2OC(N)=O)n1
InChIInChI=1S/C18H25N7O2/c1-2-11-6-5-9-15(21-11)23-14-10-16(24-25-17(14)27-18(20)26)22-13-8-4-3-7-12(13)19/h5-6,9-10,12-13H,2-4,7-8,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1
InChIKeyQVMYBDUCQMCDIV-QWHCGFSZSA-N
XLogP2.32
TPSA141.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate with MolForge

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Related Compounds

[6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate
CID 126612881
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide
CID 71626099
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrrolo[2,3-b]pyridin-6-yl)amino]pyridazine-3-carboxylic acid
CID 126612913
tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate
CID 142769615
methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 71626818
4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136977664
tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 159805262
tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate
CID 86689788
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-methylanilino)pyridine-3-carboxamide;6-chloro-4-(3-methylanilino)pyridine-3-carboxamide;cis-(1R,2S)-cyclohexane-1,2-diamine
CID 158170867
[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol
CID 133472380
N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121735

Frequently Asked Questions

What is the IUPAC name of [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate?
The IUPAC name of [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate (CID 126612893) is [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate.
What is the SMILES notation for [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate?
The canonical SMILES for [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate is CCc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2OC(N)=O)n1.
What is the InChIKey of [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate?
The InChIKey is QVMYBDUCQMCDIV-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-2-11-6-5-9-15(21-11)23-14-10-16(24-25-17(14)27-18(20)26)22-13-8-4-3-7-12(13)19/h5-6,9-10,12-13H,2-4,7-8,19H2,1H3,(H2,20,26)(H2,21,22,23,24)/t12-,13+/m0/s1.
What are the key properties of [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate?
[6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate has a molecular weight of 371.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate is sourced from PubChem (CID 126612893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).