N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide

C26H25FN4O2 — CID 67394732

About N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide

N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 67394732) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide
• PubChem CID: 67394732
• Molecular Formula: C26H25FN4O2
• Molecular Weight: 444.51 g/mol
• Exact Mass: 444.20
• IUPAC Name: N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide
• SMILES: COc1ccc(-c2cccnc2)c(C(=O)N(CCc2c[nH]c3ccc(F)cc23)CC2CC2)n1
• InChI: InChI=1S/C26H25FN4O2/c1-33-24-9-7-21(18-3-2-11-28-14-18)25(30-24)26(32)31(16-17-4-5-17)12-10-19-15-29-23-8-6-20(27)13-22(19)23/h2-3,6-9,11,13-15,17,29H,4-5,10,12,16H2,1H3
• InChIKey: YYPYRDUFIUERTN-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.51
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide?

The IUPAC name of N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide (CID 67394732) is N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide.

What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide?

The canonical SMILES for N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide is COc1ccc(-c2cccnc2)c(C(=O)N(CCc2c[nH]c3ccc(F)cc23)CC2CC2)n1.

What is the InChIKey of N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide?

The InChIKey is YYPYRDUFIUERTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-33-24-9-7-21(18-3-2-11-28-14-18)25(30-24)26(32)31(16-17-4-5-17)12-10-19-15-29-23-8-6-20(27)13-22(19)23/h2-3,6-9,11,13-15,17,29H,4-5,10,12,16H2,1H3.

What are the key properties of N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide?

N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 67394732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).