1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide

C21H28N4O2 — CID 94819448

About 1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide

1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 94819448) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide
• PubChem CID: 94819448
• Molecular Formula: C21H28N4O2
• Molecular Weight: 368.48 g/mol
• Exact Mass: 368.22
• IUPAC Name: 1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide
• SMILES: Cc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c(C)n1C1CC1
• InChI: InChI=1S/C21H28N4O2/c1-13-9-19(16(4)25(13)18-6-7-18)21(26)23-17-5-8-20(22-10-17)24-11-14(2)27-15(3)12-24/h5,8-10,14-15,18H,6-7,11-12H2,1-4H3,(H,23,26)/t14-,15+
• InChIKey: PWNXBEOOVCHBDN-GASCZTMLSA-N
• XLogP: 3.70
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.48
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide?

The IUPAC name of 1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide (CID 94819448) is 1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide.

What is the SMILES notation for 1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide?

The canonical SMILES for 1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c(C)n1C1CC1.

What is the InChIKey of 1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide?

The InChIKey is PWNXBEOOVCHBDN-GASCZTMLSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-13-9-19(16(4)25(13)18-6-7-18)21(26)23-17-5-8-20(22-10-17)24-11-14(2)27-15(3)12-24/h5,8-10,14-15,18H,6-7,11-12H2,1-4H3,(H,23,26)/t14-,15+.

What are the key properties of 1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide?

1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 94819448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).