3-[[(2S)-5-(dimethylamino)-2-ethylheptanoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide

C26H35N5O3 — CID 142922497

About 3-[[(2S)-5-(dimethylamino)-2-ethylheptanoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide

3-[[(2S)-5-(dimethylamino)-2-ethylheptanoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide (PubChem CID 142922497) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 3-[[(2S)-5-(dimethylamino)-2-ethylheptanoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[(2S)-5-(dimethylamino)-2-ethylheptanoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide
• PubChem CID: 142922497
• Molecular Formula: C26H35N5O3
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.27
• IUPAC Name: 3-[[(2S)-5-(dimethylamino)-2-ethylheptanoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide
• SMILES: CCC(CC[C@H](CC)C(=O)Nc1c(C(=O)Nc2ccc(C)cn2)oc2ccc(C)nc12)N(C)C
• InChI: InChI=1S/C26H35N5O3/c1-7-18(11-12-19(8-2)31(5)6)25(32)30-23-22-20(13-10-17(4)28-22)34-24(23)26(33)29-21-14-9-16(3)15-27-21/h9-10,13-15,18-19H,7-8,11-12H2,1-6H3,(H,30,32)(H,27,29,33)/t18-,19?/m0/s1
• InChIKey: LXUWDCZMIVCOCJ-OYKVQYDMSA-N
• XLogP: 5.18
• TPSA: 100.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-5-(dimethylamino)-2-ethylheptanoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide?

The IUPAC name of 3-[[(2S)-5-(dimethylamino)-2-ethylheptanoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide (CID 142922497) is 3-[[(2S)-5-(dimethylamino)-2-ethylheptanoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-[[(2S)-5-(dimethylamino)-2-ethylheptanoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide?

The canonical SMILES for 3-[[(2S)-5-(dimethylamino)-2-ethylheptanoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide is CCC(CC[C@H](CC)C(=O)Nc1c(C(=O)Nc2ccc(C)cn2)oc2ccc(C)nc12)N(C)C.

What is the InChIKey of 3-[[(2S)-5-(dimethylamino)-2-ethylheptanoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide?

The InChIKey is LXUWDCZMIVCOCJ-OYKVQYDMSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-7-18(11-12-19(8-2)31(5)6)25(32)30-23-22-20(13-10-17(4)28-22)34-24(23)26(33)29-21-14-9-16(3)15-27-21/h9-10,13-15,18-19H,7-8,11-12H2,1-6H3,(H,30,32)(H,27,29,33)/t18-,19?/m0/s1.

What are the key properties of 3-[[(2S)-5-(dimethylamino)-2-ethylheptanoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide?

3-[[(2S)-5-(dimethylamino)-2-ethylheptanoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 5.18, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(2S)-5-(dimethylamino)-2-ethylheptanoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 142922497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).