N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide

C18H27N5O — CID 67045613

About N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide

N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide (PubChem CID 67045613) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide
• PubChem CID: 67045613
• Molecular Formula: C18H27N5O
• Molecular Weight: 329.45 g/mol
• Exact Mass: 329.22
• IUPAC Name: N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide
• SMILES: CCC(=O)Nc1c[nH]c2ncc(C(C)C)c(N3CCCC(N)C3)c12
• InChI: InChI=1S/C18H27N5O/c1-4-15(24)22-14-9-21-18-16(14)17(13(8-20-18)11(2)3)23-7-5-6-12(19)10-23/h8-9,11-12H,4-7,10,19H2,1-3H3,(H,20,21)(H,22,24)
• InChIKey: XQRRDAPJHUPNLH-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 87.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.45
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide?

The IUPAC name of N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide (CID 67045613) is N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide.

What is the SMILES notation for N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide?

The canonical SMILES for N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide is CCC(=O)Nc1c[nH]c2ncc(C(C)C)c(N3CCCC(N)C3)c12.

What is the InChIKey of N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide?

The InChIKey is XQRRDAPJHUPNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-4-15(24)22-14-9-21-18-16(14)17(13(8-20-18)11(2)3)23-7-5-6-12(19)10-23/h8-9,11-12H,4-7,10,19H2,1-3H3,(H,20,21)(H,22,24).

What are the key properties of N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide?

N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide has a molecular weight of 329.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-aminopiperidin-1-yl)-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl]propanamide is sourced from PubChem (CID 67045613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).