5-chloro-3-[[(1S)-1-[5-[[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-2-yl]ethyl]amino]pyridine-2-carboxamide

C24H30ClN5O3S — CID 171902484

About 5-chloro-3-[[(1S)-1-[5-[[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-2-yl]ethyl]amino]pyridine-2-carboxamide

5-chloro-3-[[(1S)-1-[5-[[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-2-yl]ethyl]amino]pyridine-2-carboxamide (PubChem CID 171902484) has the molecular formula C24H30ClN5O3S and a molecular weight of 504.06 g/mol. Its IUPAC name is 5-chloro-3-[[(1S)-1-[5-[[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-2-yl]ethyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-3-[[(1S)-1-[5-[[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-2-yl]ethyl]amino]pyridine-2-carboxamide
• PubChem CID: 171902484
• Molecular Formula: C24H30ClN5O3S
• Molecular Weight: 504.06 g/mol
• Exact Mass: 503.18
• IUPAC Name: 5-chloro-3-[[(1S)-1-[5-[[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-2-yl]ethyl]amino]pyridine-2-carboxamide
• SMILES: C[C@H](Nc1cc(Cl)cnc1C(N)=O)c1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1
• InChI: InChI=1S/C24H30ClN5O3S/c1-13(28-17-11-15(25)12-27-21(17)22(26)31)19-8-9-20(34-19)24(33)30-18(10-14-4-2-3-5-14)23(32)29-16-6-7-16/h8-9,11-14,16,18,28H,2-7,10H2,1H3,(H2,26,31)(H,29,32)(H,30,33)/t13-,18-/m0/s1
• InChIKey: PKDZUCBBYNICJI-UGSOOPFHSA-N
• XLogP: 4.03
• TPSA: 126.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.06
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[(1S)-1-[5-[[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-2-yl]ethyl]amino]pyridine-2-carboxamide?

The IUPAC name of 5-chloro-3-[[(1S)-1-[5-[[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-2-yl]ethyl]amino]pyridine-2-carboxamide (CID 171902484) is 5-chloro-3-[[(1S)-1-[5-[[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-2-yl]ethyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 5-chloro-3-[[(1S)-1-[5-[[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-2-yl]ethyl]amino]pyridine-2-carboxamide?

The canonical SMILES for 5-chloro-3-[[(1S)-1-[5-[[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-2-yl]ethyl]amino]pyridine-2-carboxamide is C[C@H](Nc1cc(Cl)cnc1C(N)=O)c1ccc(C(=O)N[C@@H](CC2CCCC2)C(=O)NC2CC2)s1.

What is the InChIKey of 5-chloro-3-[[(1S)-1-[5-[[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-2-yl]ethyl]amino]pyridine-2-carboxamide?

The InChIKey is PKDZUCBBYNICJI-UGSOOPFHSA-N. The full InChI is InChI=1S/C24H30ClN5O3S/c1-13(28-17-11-15(25)12-27-21(17)22(26)31)19-8-9-20(34-19)24(33)30-18(10-14-4-2-3-5-14)23(32)29-16-6-7-16/h8-9,11-14,16,18,28H,2-7,10H2,1H3,(H2,26,31)(H,29,32)(H,30,33)/t13-,18-/m0/s1.

What are the key properties of 5-chloro-3-[[(1S)-1-[5-[[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-2-yl]ethyl]amino]pyridine-2-carboxamide?

5-chloro-3-[[(1S)-1-[5-[[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-2-yl]ethyl]amino]pyridine-2-carboxamide has a molecular weight of 504.06 g/mol, XLogP of 4.03, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-[[(1S)-1-[5-[[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-2-yl]ethyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 171902484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).