6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide

C16H21N7O2 — CID 71626818

IUPAC6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCc1cccc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)n1
InChIInChI=1S/C16H21N7O2/c1-9-3-2-4-13(19-9)21-12-7-14(22-23-15(12)16(18)24)20-11-5-6-25-8-10(11)17/h2-4,7,10-11H,5-6,8,17H2,1H3,(H2,18,24)(H2,19,20,21,22)/t10-,11+/m0/s1
InChIKeySGSCWQJQBSVTAD-WDEREUQCSA-N
MW343.39 g/mol
LogP0.55
Rot. Bonds5

About 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 71626818) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
PubChem CID71626818
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCc1cccc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)n1
InChIInChI=1S/C16H21N7O2/c1-9-3-2-4-13(19-9)21-12-7-14(22-23-15(12)16(18)24)20-11-5-6-25-8-10(11)17/h2-4,7,10-11H,5-6,8,17H2,1H3,(H2,18,24)(H2,19,20,21,22)/t10-,11+/m0/s1
InChIKeySGSCWQJQBSVTAD-WDEREUQCSA-N
XLogP0.55
TPSA141.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide with MolForge

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Related Compounds

6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide
CID 71626099
tert-butyl N-[4-[[6-carbamoyl-5-[(6-propan-2-yloxy-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate
CID 123358274
tert-butyl N-[(3R,4R)-4-aminooxan-3-yl]carbamate;tert-butyl N-[(3R,4R)-4-[[6-carbamoyl-5-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazin-3-yl]amino]oxan-3-yl]carbamate;6-chloro-4-[(4-methyl-6-propyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 161460258
tert-butyl N-[(1R,2R)-2-[[6-carbamoyl-5-[(6-ethoxy-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate
CID 142769615
3-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-[(1,6-dimethylindol-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 89484437
tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(6-pyrazol-1-yl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate
CID 86689788
5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide
CID 123886050
[(1S,2R)-2-[[6-carbamoyl-5-[(1-methylpyrrolo[2,3-b]pyridin-6-yl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamic acid
CID 142721475
1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine
CID 60875096
[(1S,2R)-2-[[6-carbamoyl-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamic acid
CID 142721477
5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(5-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide
CID 118368155
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrrolo[2,3-b]pyridin-6-yl)amino]pyridazine-3-carboxylic acid
CID 126612913

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 71626818) is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide is Cc1cccc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)n1.
What is the InChIKey of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The InChIKey is SGSCWQJQBSVTAD-WDEREUQCSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-9-3-2-4-13(19-9)21-12-7-14(22-23-15(12)16(18)24)20-11-5-6-25-8-10(11)17/h2-4,7,10-11H,5-6,8,17H2,1H3,(H2,18,24)(H2,19,20,21,22)/t10-,11+/m0/s1.
What are the key properties of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(6-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 71626818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).