6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide

C19H27N7O2 — CID 71626099

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide
SMILESCC(C)(O)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1
InChIInChI=1S/C19H27N7O2/c1-19(2,28)14-8-5-9-15(24-14)23-13-10-16(25-26-17(13)18(21)27)22-12-7-4-3-6-11(12)20/h5,8-12,28H,3-4,6-7,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/m0/s1
InChIKeyJIUISYCELSZDAY-NWDGAFQWSA-N
MW385.47 g/mol
LogP1.62
Rot. Bonds6

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide

6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide (PubChem CID 71626099) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide
PubChem CID71626099
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide
SMILESCC(C)(O)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1
InChIInChI=1S/C19H27N7O2/c1-19(2,28)14-8-5-9-15(24-14)23-13-10-16(25-26-17(13)18(21)27)22-12-7-4-3-6-11(12)20/h5,8-12,28H,3-4,6-7,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/m0/s1
InChIKeyJIUISYCELSZDAY-NWDGAFQWSA-N
XLogP1.62
TPSA152.07 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide with MolForge

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Related Compounds

tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate
CID 142769615
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 71626818
4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 126627684
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-[(6-ethyl-2-pyridinyl)amino]pyridazin-3-yl] carbamate
CID 126612893
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-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-(3,5-dimethylanilino)pyridazin-3-yl]amino]cyclohexyl]carbamate;6-chloro-4-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 160999101
[(1S,2R)-2-[[6-carbamoyl-5-[(1-methylpyrrolo[2,3-b]pyridin-6-yl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamic acid
CID 142721475
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide
CID 72551286
[(1S,2R)-2-[[6-carbamoyl-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamic acid
CID 142721477
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 90354701
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

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide (CID 71626099) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide is CC(C)(O)c1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide?
The InChIKey is JIUISYCELSZDAY-NWDGAFQWSA-N. The full InChI is InChI=1S/C19H27N7O2/c1-19(2,28)14-8-5-9-15(24-14)23-13-10-16(25-26-17(13)18(21)27)22-12-7-4-3-6-11(12)20/h5,8-12,28H,3-4,6-7,20H2,1-2H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.62, 6 rotatable bonds, 5 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-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 71626099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).