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

C19H25N7O — CID 71626894

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-cyclopropyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1cccc(C2CC2)n1
InChIInChI=1S/C19H25N7O/c20-12-4-1-2-5-14(12)23-17-10-15(18(19(21)27)26-25-17)24-16-7-3-6-13(22-16)11-8-9-11/h3,6-7,10-12,14H,1-2,4-5,8-9,20H2,(H2,21,27)(H2,22,23,24,25)/t12-,14+/m0/s1
InChIKeyGEMHYLOIOLQZNH-GXTWGEPZSA-N
MW367.46 g/mol
LogP2.27
Rot. Bonds6

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

6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-cyclopropyl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 71626894) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-cyclopropyl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-cyclopropyl-2-pyridinyl)amino]pyridazine-3-carboxamide
PubChem CID71626894
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-cyclopropyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1cccc(C2CC2)n1
InChIInChI=1S/C19H25N7O/c20-12-4-1-2-5-14(12)23-17-10-15(18(19(21)27)26-25-17)24-16-7-3-6-13(22-16)11-8-9-11/h3,6-7,10-12,14H,1-2,4-5,8-9,20H2,(H2,21,27)(H2,22,23,24,25)/t12-,14+/m0/s1
InChIKeyGEMHYLOIOLQZNH-GXTWGEPZSA-N
XLogP2.27
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-cyclopropyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-cyclopropyl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 71626894) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-cyclopropyl-2-pyridinyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-cyclopropyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-cyclopropyl-2-pyridinyl)amino]pyridazine-3-carboxamide is NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1cccc(C2CC2)n1.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-cyclopropyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The InChIKey is GEMHYLOIOLQZNH-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H25N7O/c20-12-4-1-2-5-14(12)23-17-10-15(18(19(21)27)26-25-17)24-16-7-3-6-13(22-16)11-8-9-11/h3,6-7,10-12,14H,1-2,4-5,8-9,20H2,(H2,21,27)(H2,22,23,24,25)/t12-,14+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-cyclopropyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-cyclopropyl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 367.46 g/mol, XLogP of 2.27, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-cyclopropyl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 71626894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).