6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide

C19H27N7O3 — CID 71626043

About 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 71626043) has the molecular formula C19H27N7O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
• PubChem CID: 71626043
• Molecular Formula: C19H27N7O3
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.22
• IUPAC Name: 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide
• SMILES: COc1ccc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)nc1C(C)C
• InChI: InChI=1S/C19H27N7O3/c1-10(2)17-14(28-3)4-5-15(24-17)23-13-8-16(25-26-18(13)19(21)27)22-12-6-7-29-9-11(12)20/h4-5,8,10-12H,6-7,9,20H2,1-3H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/m0/s1
• InChIKey: BZQIGXCSZVOECS-NWDGAFQWSA-N
• XLogP: 1.37
• TPSA: 150.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?

The IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 71626043) is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?

The canonical SMILES for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide is COc1ccc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)nnc2C(N)=O)nc1C(C)C.

What is the InChIKey of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?

The InChIKey is BZQIGXCSZVOECS-NWDGAFQWSA-N. The full InChI is InChI=1S/C19H27N7O3/c1-10(2)17-14(28-3)4-5-15(24-17)23-13-8-16(25-26-18(13)19(21)27)22-12-6-7-29-9-11(12)20/h4-5,8,10-12H,6-7,9,20H2,1-3H3,(H2,21,27)(H2,22,23,24,25)/t11-,12+/m0/s1.

What are the key properties of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide?

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 1.37, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-4-[(5-methoxy-6-propan-2-yl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 71626043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).