N-(1-amino-3-cyclopentyl-1-oxopropan-2-yl)-5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxamide;cyclopropane

C24H31BrN4O3S — CID 178158046

About N-(1-amino-3-cyclopentyl-1-oxopropan-2-yl)-5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxamide;cyclopropane

N-(1-amino-3-cyclopentyl-1-oxopropan-2-yl)-5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxamide;cyclopropane (PubChem CID 178158046) has the molecular formula C24H31BrN4O3S and a molecular weight of 535.51 g/mol. Its IUPAC name is N-(1-amino-3-cyclopentyl-1-oxopropan-2-yl)-5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxamide;cyclopropane.

Molecular Properties

• Compound Name: N-(1-amino-3-cyclopentyl-1-oxopropan-2-yl)-5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxamide;cyclopropane
• PubChem CID: 178158046
• Molecular Formula: C24H31BrN4O3S
• Molecular Weight: 535.51 g/mol
• Exact Mass: 534.13
• IUPAC Name: N-(1-amino-3-cyclopentyl-1-oxopropan-2-yl)-5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxamide;cyclopropane
• SMILES: C1CC1.NC(=O)C(CC1CCCC1)NC(=O)c1ccc(CN2CCOc3ncc(Br)cc32)s1
• InChI: InChI=1S/C21H25BrN4O3S.C3H6/c22-14-10-17-21(24-11-14)29-8-7-26(17)12-15-5-6-18(30-15)20(28)25-16(19(23)27)9-13-3-1-2-4-13;1-2-3-1/h5-6,10-11,13,16H,1-4,7-9,12H2,(H2,23,27)(H,25,28);1-3H2
• InChIKey: OLHVHLOQOWXSBP-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 97.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.51
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-cyclopentyl-1-oxopropan-2-yl)-5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxamide;cyclopropane?

The IUPAC name of N-(1-amino-3-cyclopentyl-1-oxopropan-2-yl)-5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxamide;cyclopropane (CID 178158046) is N-(1-amino-3-cyclopentyl-1-oxopropan-2-yl)-5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxamide;cyclopropane.

What is the SMILES notation for N-(1-amino-3-cyclopentyl-1-oxopropan-2-yl)-5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxamide;cyclopropane?

The canonical SMILES for N-(1-amino-3-cyclopentyl-1-oxopropan-2-yl)-5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxamide;cyclopropane is C1CC1.NC(=O)C(CC1CCCC1)NC(=O)c1ccc(CN2CCOc3ncc(Br)cc32)s1.

What is the InChIKey of N-(1-amino-3-cyclopentyl-1-oxopropan-2-yl)-5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxamide;cyclopropane?

The InChIKey is OLHVHLOQOWXSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN4O3S.C3H6/c22-14-10-17-21(24-11-14)29-8-7-26(17)12-15-5-6-18(30-15)20(28)25-16(19(23)27)9-13-3-1-2-4-13;1-2-3-1/h5-6,10-11,13,16H,1-4,7-9,12H2,(H2,23,27)(H,25,28);1-3H2.

What are the key properties of N-(1-amino-3-cyclopentyl-1-oxopropan-2-yl)-5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxamide;cyclopropane?

N-(1-amino-3-cyclopentyl-1-oxopropan-2-yl)-5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxamide;cyclopropane has a molecular weight of 535.51 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-3-cyclopentyl-1-oxopropan-2-yl)-5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxamide;cyclopropane is sourced from PubChem (CID 178158046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).