N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide

C32H55N7O5 — CID 143138436

About N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide

N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide (PubChem CID 143138436) has the molecular formula C32H55N7O5 and a molecular weight of 617.84 g/mol. Its IUPAC name is N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
• PubChem CID: 143138436
• Molecular Formula: C32H55N7O5
• Molecular Weight: 617.84 g/mol
• Exact Mass: 617.43
• IUPAC Name: N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
• SMILES: CCC[C@H](NC(=O)[C@@H](NC(=O)c1ccncc1)[C@@H](C)CC)C(=O)N[C@H](CNCC(=O)N[C@H](C(=O)NCC)C(C)C)CC(C)C
• InChI: InChI=1S/C32H55N7O5/c1-9-12-25(37-32(44)28(22(8)10-2)39-29(41)23-13-15-33-16-14-23)30(42)36-24(17-20(4)5)18-34-19-26(40)38-27(21(6)7)31(43)35-11-3/h13-16,20-22,24-25,27-28,34H,9-12,17-19H2,1-8H3,(H,35,43)(H,36,42)(H,37,44)(H,38,40)(H,39,41)/t22-,24-,25-,27-,28-/m0/s1
• InChIKey: CLVJLTIZXAXFKZ-NCOKOBJTSA-N
• XLogP: 1.91
• TPSA: 170.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.84
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?

The IUPAC name of N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide (CID 143138436) is N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide.

What is the SMILES notation for N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?

The canonical SMILES for N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide is CCC[C@H](NC(=O)[C@@H](NC(=O)c1ccncc1)[C@@H](C)CC)C(=O)N[C@H](CNCC(=O)N[C@H](C(=O)NCC)C(C)C)CC(C)C.

What is the InChIKey of N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?

The InChIKey is CLVJLTIZXAXFKZ-NCOKOBJTSA-N. The full InChI is InChI=1S/C32H55N7O5/c1-9-12-25(37-32(44)28(22(8)10-2)39-29(41)23-13-15-33-16-14-23)30(42)36-24(17-20(4)5)18-34-19-26(40)38-27(21(6)7)31(43)35-11-3/h13-16,20-22,24-25,27-28,34H,9-12,17-19H2,1-8H3,(H,35,43)(H,36,42)(H,37,44)(H,38,40)(H,39,41)/t22-,24-,25-,27-,28-/m0/s1.

What are the key properties of N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?

N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide has a molecular weight of 617.84 g/mol, XLogP of 1.91, 20 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 143138436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).