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

C35H59N7O5 — CID 70331067

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

N-[(2S,3S)-1-[[(1S)-1-cyclopentyl-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide (PubChem CID 70331067) has the molecular formula C35H59N7O5 and a molecular weight of 657.90 g/mol. Its IUPAC name is N-[(2S,3S)-1-[[(1S)-1-cyclopentyl-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,3S)-1-[[(1S)-1-cyclopentyl-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
• PubChem CID: 70331067
• Molecular Formula: C35H59N7O5
• Molecular Weight: 657.90 g/mol
• Exact Mass: 657.46
• IUPAC Name: N-[(2S,3S)-1-[[(1S)-1-cyclopentyl-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
• SMILES: CCNC(=O)[C@@H](NC(=O)[C@H](C)NC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccncc1)[C@@H](C)CC)C1CCCC1)C(C)C
• InChI: InChI=1S/C35H59N7O5/c1-9-23(7)29(41-32(44)26-15-17-36-18-16-26)34(46)42-30(25-13-11-12-14-25)35(47)39-27(19-21(3)4)20-38-24(8)31(43)40-28(22(5)6)33(45)37-10-2/h15-18,21-25,27-30,38H,9-14,19-20H2,1-8H3,(H,37,45)(H,39,47)(H,40,43)(H,41,44)(H,42,46)/t23-,24-,27-,28-,29-,30-/m0/s1
• InChIKey: JBQPMUHIHOQVAZ-SSDNOSSOSA-N
• XLogP: 2.69
• TPSA: 170.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.90
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(2S,3S)-1-[[(1S)-1-cyclopentyl-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide (CID 70331067) is N-[(2S,3S)-1-[[(1S)-1-cyclopentyl-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide.

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

The canonical SMILES for N-[(2S,3S)-1-[[(1S)-1-cyclopentyl-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide is CCNC(=O)[C@@H](NC(=O)[C@H](C)NC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccncc1)[C@@H](C)CC)C1CCCC1)C(C)C.

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

The InChIKey is JBQPMUHIHOQVAZ-SSDNOSSOSA-N. The full InChI is InChI=1S/C35H59N7O5/c1-9-23(7)29(41-32(44)26-15-17-36-18-16-26)34(46)42-30(25-13-11-12-14-25)35(47)39-27(19-21(3)4)20-38-24(8)31(43)40-28(22(5)6)33(45)37-10-2/h15-18,21-25,27-30,38H,9-14,19-20H2,1-8H3,(H,37,45)(H,39,47)(H,40,43)(H,41,44)(H,42,46)/t23-,24-,27-,28-,29-,30-/m0/s1.

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

N-[(2S,3S)-1-[[(1S)-1-cyclopentyl-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide has a molecular weight of 657.90 g/mol, XLogP of 2.69, 19 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3S)-1-[[(1S)-1-cyclopentyl-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 70331067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).