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

C18H24N6O3 — CID 71548005

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

5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-[(4-methoxy-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide (PubChem CID 71548005) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-[(4-methoxy-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-[(4-methoxy-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
• PubChem CID: 71548005
• Molecular Formula: C18H24N6O3
• Molecular Weight: 372.43 g/mol
• Exact Mass: 372.19
• IUPAC Name: 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-[(4-methoxy-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
• SMILES: COc1cc(C)nc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)cnc2C(N)=O)c1
• InChI: InChI=1S/C18H24N6O3/c1-10-5-12(26-2)7-16(22-10)24-15-6-11(8-21-17(15)18(20)25)23-14-3-4-27-9-13(14)19/h5-8,13-14,23H,3-4,9,19H2,1-2H3,(H2,20,25)(H,22,24)/t13-,14+/m0/s1
• InChIKey: JKUPMWDVCRKJEX-UONOGXRCSA-N
• XLogP: 1.16
• TPSA: 137.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.43
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-[(4-methoxy-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide (CID 71548005) is 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-[(4-methoxy-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide.

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

The canonical SMILES for 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-[(4-methoxy-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide is COc1cc(C)nc(Nc2cc(N[C@@H]3CCOC[C@@H]3N)cnc2C(N)=O)c1.

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

The InChIKey is JKUPMWDVCRKJEX-UONOGXRCSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-10-5-12(26-2)7-16(22-10)24-15-6-11(8-21-17(15)18(20)25)23-14-3-4-27-9-13(14)19/h5-8,13-14,23H,3-4,9,19H2,1-2H3,(H2,20,25)(H,22,24)/t13-,14+/m0/s1.

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

5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-[(4-methoxy-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.16, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-[(4-methoxy-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 71548005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).