N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide

C19H19N5O2 — CID 154633846

About N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide

N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide (PubChem CID 154633846) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide.

Molecular Properties

• Compound Name: N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
• PubChem CID: 154633846
• Molecular Formula: C19H19N5O2
• Molecular Weight: 349.39 g/mol
• Exact Mass: 349.15
• IUPAC Name: N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
• SMILES: N#CCC(=O)N1C=C(c2cc(N(C=O)C3CC3)nc3[nH]ccc23)CCC1
• InChI: InChI=1S/C19H19N5O2/c20-7-5-18(26)23-9-1-2-13(11-23)16-10-17(24(12-25)14-3-4-14)22-19-15(16)6-8-21-19/h6,8,10-12,14H,1-5,9H2,(H,21,22)
• InChIKey: LDIBANUKNHDWQS-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 93.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.39
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide?

The IUPAC name of N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide (CID 154633846) is N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide.

What is the SMILES notation for N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide?

The canonical SMILES for N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide is N#CCC(=O)N1C=C(c2cc(N(C=O)C3CC3)nc3[nH]ccc23)CCC1.

What is the InChIKey of N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide?

The InChIKey is LDIBANUKNHDWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c20-7-5-18(26)23-9-1-2-13(11-23)16-10-17(24(12-25)14-3-4-14)22-19-15(16)6-8-21-19/h6,8,10-12,14H,1-5,9H2,(H,21,22).

What are the key properties of N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide?

N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide has a molecular weight of 349.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide is sourced from PubChem (CID 154633846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).