N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromene-2-carboxamide

C26H29N7O4 — CID 138524522

About N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromene-2-carboxamide

N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromene-2-carboxamide (PubChem CID 138524522) has the molecular formula C26H29N7O4 and a molecular weight of 503.56 g/mol. Its IUPAC name is N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromene-2-carboxamide
• PubChem CID: 138524522
• Molecular Formula: C26H29N7O4
• Molecular Weight: 503.56 g/mol
• Exact Mass: 503.23
• IUPAC Name: N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromene-2-carboxamide
• SMILES: CC(C)n1cnnc1-c1cccc(Nc2cccc3oc(C(=O)NCCN4CCC(O)C4)cc(=O)c23)n1
• InChI: InChI=1S/C26H29N7O4/c1-16(2)33-15-28-31-25(33)19-6-4-8-23(30-19)29-18-5-3-7-21-24(18)20(35)13-22(37-21)26(36)27-10-12-32-11-9-17(34)14-32/h3-8,13,15-17,34H,9-12,14H2,1-2H3,(H,27,36)(H,29,30)
• InChIKey: JAAUNSOLSGIERS-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 138.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.56
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromene-2-carboxamide?

The IUPAC name of N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromene-2-carboxamide (CID 138524522) is N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromene-2-carboxamide.

What is the SMILES notation for N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromene-2-carboxamide?

The canonical SMILES for N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromene-2-carboxamide is CC(C)n1cnnc1-c1cccc(Nc2cccc3oc(C(=O)NCCN4CCC(O)C4)cc(=O)c23)n1.

What is the InChIKey of N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromene-2-carboxamide?

The InChIKey is JAAUNSOLSGIERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O4/c1-16(2)33-15-28-31-25(33)19-6-4-8-23(30-19)29-18-5-3-7-21-24(18)20(35)13-22(37-21)26(36)27-10-12-32-11-9-17(34)14-32/h3-8,13,15-17,34H,9-12,14H2,1-2H3,(H,27,36)(H,29,30).

What are the key properties of N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromene-2-carboxamide?

N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromene-2-carboxamide has a molecular weight of 503.56 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-4-oxo-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromene-2-carboxamide is sourced from PubChem (CID 138524522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).