6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide

C28H35FN6O — CID 142557686

About 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide

6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 142557686) has the molecular formula C28H35FN6O and a molecular weight of 490.63 g/mol. Its IUPAC name is 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide
• PubChem CID: 142557686
• Molecular Formula: C28H35FN6O
• Molecular Weight: 490.63 g/mol
• Exact Mass: 490.29
• IUPAC Name: 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide
• SMILES: CCNC(=O)c1cnc(Nc2ccc3c(c2)CCC(N(C)C)C3)cc1Nc1ccnc(C(C)(C)F)c1
• InChI: InChI=1S/C28H35FN6O/c1-6-30-27(36)23-17-32-26(16-24(23)33-21-11-12-31-25(15-21)28(2,3)29)34-20-9-7-19-14-22(35(4)5)10-8-18(19)13-20/h7,9,11-13,15-17,22H,6,8,10,14H2,1-5H3,(H,30,36)(H2,31,32,33,34)
• InChIKey: JURBFTLMKUBPHT-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 82.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.63
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide?

The IUPAC name of 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide (CID 142557686) is 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide is CCNC(=O)c1cnc(Nc2ccc3c(c2)CCC(N(C)C)C3)cc1Nc1ccnc(C(C)(C)F)c1.

What is the InChIKey of 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide?

The InChIKey is JURBFTLMKUBPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN6O/c1-6-30-27(36)23-17-32-26(16-24(23)33-21-11-12-31-25(15-21)28(2,3)29)34-20-9-7-19-14-22(35(4)5)10-8-18(19)13-20/h7,9,11-13,15-17,22H,6,8,10,14H2,1-5H3,(H,30,36)(H2,31,32,33,34).

What are the key properties of 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide?

6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 5.34, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-N-ethyl-4-[[2-(2-fluoropropan-2-yl)-4-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 142557686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).