N-[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]-6-[5-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide

C62H82N12O8 — CID 75984517

About N-[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]-6-[5-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide

N-[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]-6-[5-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 75984517) has the molecular formula C62H82N12O8 and a molecular weight of 1123.41 g/mol. Its IUPAC name is N-[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]-6-[5-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]-6-[5-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide
• PubChem CID: 75984517
• Molecular Formula: C62H82N12O8
• Molecular Weight: 1123.41 g/mol
• Exact Mass: 1122.64
• IUPAC Name: N-[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]-6-[5-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide
• SMILES: CNC(C)C(=O)NC(C(=O)N1CC(NC(=O)c2ccc(-c3ccc(C(=O)NC4CC(C(=O)NC5CCCc6ccccc65)N(C(=O)C(NC(=O)C(C)NC)C(C)(C)C)C4)cn3)nc2)CC1C(=O)NC1CCCc2ccccc21)C(C)(C)C
• InChI: InChI=1S/C62H82N12O8/c1-35(63-9)53(75)71-51(61(3,4)5)59(81)73-33-41(29-49(73)57(79)69-45-23-15-19-37-17-11-13-21-43(37)45)67-55(77)39-25-27-47(65-31-39)48-28-26-40(32-66-48)56(78)68-42-30-50(58(80)70-46-24-16-20-38-18-12-14-22-44(38)46)74(34-42)60(82)52(62(6,7)8)72-54(76)36(2)64-10/h11-14,17-18,21-22,25-28,31-32,35-36,41-42,45-46,49-52,63-64H,15-16,19-20,23-24,29-30,33-34H2,1-10H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)(H,71,75)(H,72,76)
• InChIKey: YAYSETACJCZINF-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 265.06 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1123.41
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]-6-[5-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide?

The IUPAC name of N-[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]-6-[5-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide (CID 75984517) is N-[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]-6-[5-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]-6-[5-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide?

The canonical SMILES for N-[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]-6-[5-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide is CNC(C)C(=O)NC(C(=O)N1CC(NC(=O)c2ccc(-c3ccc(C(=O)NC4CC(C(=O)NC5CCCc6ccccc65)N(C(=O)C(NC(=O)C(C)NC)C(C)(C)C)C4)cn3)nc2)CC1C(=O)NC1CCCc2ccccc21)C(C)(C)C.

What is the InChIKey of N-[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]-6-[5-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide?

The InChIKey is YAYSETACJCZINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H82N12O8/c1-35(63-9)53(75)71-51(61(3,4)5)59(81)73-33-41(29-49(73)57(79)69-45-23-15-19-37-17-11-13-21-43(37)45)67-55(77)39-25-27-47(65-31-39)48-28-26-40(32-66-48)56(78)68-42-30-50(58(80)70-46-24-16-20-38-18-12-14-22-44(38)46)74(34-42)60(82)52(62(6,7)8)72-54(76)36(2)64-10/h11-14,17-18,21-22,25-28,31-32,35-36,41-42,45-46,49-52,63-64H,15-16,19-20,23-24,29-30,33-34H2,1-10H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)(H,71,75)(H,72,76).

What are the key properties of N-[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]-6-[5-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide?

N-[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]-6-[5-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 1123.41 g/mol, XLogP of 4.21, 17 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]-6-[5-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 75984517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).