N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]-6-(2-chlorophenyl)pyridine-3-carboxamide

C32H25ClF2N4O4 — CID 10438580

About N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]-6-(2-chlorophenyl)pyridine-3-carboxamide

N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]-6-(2-chlorophenyl)pyridine-3-carboxamide (PubChem CID 10438580) has the molecular formula C32H25ClF2N4O4 and a molecular weight of 603.03 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]-6-(2-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]-6-(2-chlorophenyl)pyridine-3-carboxamide
• PubChem CID: 10438580
• Molecular Formula: C32H25ClF2N4O4
• Molecular Weight: 603.03 g/mol
• Exact Mass: 602.15
• IUPAC Name: N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]-6-(2-chlorophenyl)pyridine-3-carboxamide
• SMILES: CC[C@H](NC(=O)[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)nc1)C(=O)c1nc2ccccc2o1
• InChI: InChI=1S/C32H25ClF2N4O4/c1-2-24(29(40)32-39-26-12-5-6-13-28(26)43-32)37-31(42)27(16-20-22(34)10-7-11-23(20)35)38-30(41)18-14-15-25(36-17-18)19-8-3-4-9-21(19)33/h3-15,17,24,27H,2,16H2,1H3,(H,37,42)(H,38,41)/t24-,27-/m0/s1
• InChIKey: GUWNDDWQBBGRHJ-IGKIAQTJSA-N
• XLogP: 5.94
• TPSA: 114.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.03
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]-6-(2-chlorophenyl)pyridine-3-carboxamide?

The IUPAC name of N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]-6-(2-chlorophenyl)pyridine-3-carboxamide (CID 10438580) is N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]-6-(2-chlorophenyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]-6-(2-chlorophenyl)pyridine-3-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]-6-(2-chlorophenyl)pyridine-3-carboxamide is CC[C@H](NC(=O)[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)nc1)C(=O)c1nc2ccccc2o1.

What is the InChIKey of N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]-6-(2-chlorophenyl)pyridine-3-carboxamide?

The InChIKey is GUWNDDWQBBGRHJ-IGKIAQTJSA-N. The full InChI is InChI=1S/C32H25ClF2N4O4/c1-2-24(29(40)32-39-26-12-5-6-13-28(26)43-32)37-31(42)27(16-20-22(34)10-7-11-23(20)35)38-30(41)18-14-15-25(36-17-18)19-8-3-4-9-21(19)33/h3-15,17,24,27H,2,16H2,1H3,(H,37,42)(H,38,41)/t24-,27-/m0/s1.

What are the key properties of N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]-6-(2-chlorophenyl)pyridine-3-carboxamide?

N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]-6-(2-chlorophenyl)pyridine-3-carboxamide has a molecular weight of 603.03 g/mol, XLogP of 5.94, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]-6-(2-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 10438580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).