N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide

C26H24N4O3 — CID 10203632

About N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide

N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 10203632) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 10203632
• Molecular Formula: C26H24N4O3
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.18
• IUPAC Name: N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CC(C)(O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1
• InChI: InChI=1S/C26H24N4O3/c1-26(2,33)22-11-8-17(14-28-22)16-5-3-6-19(13-16)30-15-21(25(32)29-18-9-10-18)23(31)20-7-4-12-27-24(20)30/h3-8,11-15,18,33H,9-10H2,1-2H3,(H,29,32)
• InChIKey: VKEGWFZBNIKAFW-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 97.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 10203632) is N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is CC(C)(O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.

What is the InChIKey of N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is VKEGWFZBNIKAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-26(2,33)22-11-8-17(14-28-22)16-5-3-6-19(13-16)30-15-21(25(32)29-18-9-10-18)23(31)20-7-4-12-27-24(20)30/h3-8,11-15,18,33H,9-10H2,1-2H3,(H,29,32).

What are the key properties of N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10203632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).